3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

CAS: 860352-01-8

Formula: C17H19FN4O2S

SMILES: NC(=O)NC1=C(SC(=C1)C1=CC=CC(F)=C1)C(=O)N[C@H]1CCCNC1

IUPAC: 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

InChI: InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1

Composition: C (56.34%), H (5.28%), F (5.24%), N (15.46%), O (8.83%), S (8.85%)

Molar Mass: 362.42

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	362.121275205
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
InChIKey	IAYGCINLNONXHY-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.53
Topological Polar Surface Area	96.25
Polarizability	36.66
Ring Count	3
Rotatable Bond Count	4

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