5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide

C21H19FN2O2S — CID 51958932

IUPAC5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H19FN2O2S/c1-13-11-18(24-20(25)16-9-6-10-17(22)12-16)27-19(13)21(26)23-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyNDAHCHHMWHKZLL-CQSZACIVSA-N
MW382.46 g/mol
LogP4.94
Rot. Bonds5

About 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide

5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 51958932) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
PubChem CID51958932
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H19FN2O2S/c1-13-11-18(24-20(25)16-9-6-10-17(22)12-16)27-19(13)21(26)23-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyNDAHCHHMWHKZLL-CQSZACIVSA-N
XLogP4.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17063749
N-[(2S)-5-(diethylamino)pentan-2-yl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 52510543
N-[cyano-(2-fluorophenyl)methyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56514875
N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119997371
N-(4-bromo-2,6-dimethylphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 112845668
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502945
N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride
CID 119583984
3-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207193
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]thiophene-2-carboxamide
CID 55871880
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 60508290
N-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119519630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55852955

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide (CID 51958932) is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is NDAHCHHMWHKZLL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-13-11-18(24-20(25)16-9-6-10-17(22)12-16)27-19(13)21(26)23-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,26)(H,24,25)/t14-/m1/s1.
What are the key properties of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51958932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).