N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

C21H18FN3O4S — CID 55882314

IUPACN-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C21H18FN3O4S/c1-11-8-17(25-20(27)13-4-3-5-14(22)9-13)30-18(11)21(28)24-15-10-12(19(23)26)6-7-16(15)29-2/h3-10H,1-2H3,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyXGCOSZDVUBKSDV-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.81
Rot. Bonds6

About N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (PubChem CID 55882314) has the molecular formula C21H18FN3O4S and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
PubChem CID55882314
Molecular FormulaC21H18FN3O4S
Molecular Weight427.46 g/mol
Exact Mass427.10
IUPAC NameN-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C21H18FN3O4S/c1-11-8-17(25-20(27)13-4-3-5-14(22)9-13)30-18(11)21(28)24-15-10-12(19(23)26)6-7-16(15)29-2/h3-10H,1-2H3,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyXGCOSZDVUBKSDV-UHFFFAOYSA-N
XLogP3.81
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55844666
5-[(3-fluorobenzoyl)amino]-N-(2-methoxy-3-pyridinyl)-3-methylthiophene-2-carboxamide
CID 55868210
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-(4-bromo-2,6-dimethylphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 112845668
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
3-fluoro-N-[5-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55828192
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-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502945
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]thiophene-2-carboxamide
CID 55871880
5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 55824923
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55852955
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 51958932

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (CID 55882314) is N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The InChIKey is XGCOSZDVUBKSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4S/c1-11-8-17(25-20(27)13-4-3-5-14(22)9-13)30-18(11)21(28)24-15-10-12(19(23)26)6-7-16(15)29-2/h3-10H,1-2H3,(H2,23,26)(H,24,28)(H,25,27).
What are the key properties of N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55882314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).