2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide

C20H21FN2O2S — CID 97319528

IUPAC2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCSC2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C20H21FN2O2S/c1-13-6-4-9-16(20(25)22-14-7-5-11-26-12-14)18(13)23-19(24)15-8-2-3-10-17(15)21/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyWNOLHSVFACAWFZ-AWEZNQCLSA-N
MW372.47 g/mol
LogP4.01
Rot. Bonds4

About 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide

2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide (PubChem CID 97319528) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
PubChem CID97319528
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCCSC2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C20H21FN2O2S/c1-13-6-4-9-16(20(25)22-14-7-5-11-26-12-14)18(13)23-19(24)15-8-2-3-10-17(15)21/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyWNOLHSVFACAWFZ-AWEZNQCLSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429147
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
CID 86964134
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide
CID 86905072
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide (CID 97319528) is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide is Cc1cccc(C(=O)N[C@H]2CCCSC2)c1NC(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide?
The InChIKey is WNOLHSVFACAWFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-13-6-4-9-16(20(25)22-14-7-5-11-26-12-14)18(13)23-19(24)15-8-2-3-10-17(15)21/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1.
What are the key properties of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide?
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide is sourced from PubChem (CID 97319528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).