5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide

C16H18FN3O2S — CID 119502945

IUPAC5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C16H18FN3O2S/c1-10-8-13(23-14(10)16(22)19-7-6-18-2)20-15(21)11-4-3-5-12(17)9-11/h3-5,8-9,18H,6-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQUSIJUJPBSWJJH-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds6

About 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide

5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (PubChem CID 119502945) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
PubChem CID119502945
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C16H18FN3O2S/c1-10-8-13(23-14(10)16(22)19-7-6-18-2)20-15(21)11-4-3-5-12(17)9-11/h3-5,8-9,18H,6-7H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQUSIJUJPBSWJJH-UHFFFAOYSA-N
XLogP2.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-fluorobenzoyl)amino]-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methylthiophene-2-carboxamide
CID 55907645
N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119997371
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 78897906
N-(4-bromo-2,6-dimethylphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 112845668
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 51958932
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55870514
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylthiophene-2-carboxamide
CID 55894632
3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
CID 119545620
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 55852973
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (CID 119502945) is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is CNCCNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is QUSIJUJPBSWJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-10-8-13(23-14(10)16(22)19-7-6-18-2)20-15(21)11-4-3-5-12(17)9-11/h3-5,8-9,18H,6-7H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 119502945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).