5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C17H18N2O4S — CID 9089320

IUPAC5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C17H18N2O4S/c1-11(20)14-8-9-15(24-14)17(22)19(2)10-16(21)18-12-4-6-13(23-3)7-5-12/h4-9H,10H2,1-3H3,(H,18,21)
InChIKeyNFALCSBLHJHECU-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.67
Rot. Bonds6

About 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 9089320) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID9089320
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C17H18N2O4S/c1-11(20)14-8-9-15(24-14)17(22)19(2)10-16(21)18-12-4-6-13(23-3)7-5-12/h4-9H,10H2,1-3H3,(H,18,21)
InChIKeyNFALCSBLHJHECU-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9426403
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9426402
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
5-bromo-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55832973
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
CID 9438354
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719235
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 9089320) is 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(C)=O)s2)cc1.
What is the InChIKey of 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NFALCSBLHJHECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11(20)14-8-9-15(24-14)17(22)19(2)10-16(21)18-12-4-6-13(23-3)7-5-12/h4-9H,10H2,1-3H3,(H,18,21).
What are the key properties of 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 9089320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).