N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

C21H20N2O3S — CID 16563086

IUPACN-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C21H20N2O3S/c1-13-4-6-15(7-5-13)17-10-11-27-20(17)21(25)23-18-12-16(22-14(2)24)8-9-19(18)26-3/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJKYFDPHXPGDUDF-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.94
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 16563086) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID16563086
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C21H20N2O3S/c1-13-4-6-15(7-5-13)17-10-11-27-20(17)21(25)23-18-12-16(22-14(2)24)8-9-19(18)26-3/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJKYFDPHXPGDUDF-UHFFFAOYSA-N
XLogP4.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668783
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8922975
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 112812978
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
N-(5-acetamido-2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17417372
N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992462
(2-methoxy-4-methoxycarbonylphenyl) 3-(4-methylphenyl)thiophene-2-carboxylate
CID 22831102

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 16563086) is N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1sccc1-c1ccc(C)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is JKYFDPHXPGDUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-4-6-15(7-5-13)17-10-11-27-20(17)21(25)23-18-12-16(22-14(2)24)8-9-19(18)26-3/h4-12H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 16563086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).