N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide

C15H14N2O3S — CID 18089390

IUPACN-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1
InChIInChI=1S/C15H14N2O3S/c1-9(18)13-6-7-14(21-13)15(20)17-12-5-3-4-11(8-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)
InChIKeyFPZOKJOEPWALGU-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.16
Rot. Bonds4

About N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide

N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide (PubChem CID 18089390) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
PubChem CID18089390
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1
InChIInChI=1S/C15H14N2O3S/c1-9(18)13-6-7-14(21-13)15(20)17-12-5-3-4-11(8-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)
InChIKeyFPZOKJOEPWALGU-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 9072643
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
5-acetyl-N-(9H-fluoren-2-yl)thiophene-2-carboxamide
CID 39996046
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
5-acetyl-N-(2,6-diethylphenyl)thiophene-2-carboxamide
CID 18089551
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide (CID 18089390) is N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide?
The InChIKey is FPZOKJOEPWALGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9(18)13-6-7-14(21-13)15(20)17-12-5-3-4-11(8-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide?
N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide is sourced from PubChem (CID 18089390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).