2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide

C14H13N3O3S — CID 61347220

IUPAC2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C14H13N3O3S/c1-8(18)9-2-4-10(5-3-9)16-14(20)17-13-11(12(15)19)6-7-21-13/h2-7H,1H3,(H2,15,19)(H2,16,17,20)
InChIKeyFWOAGHXYBRHMAM-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.69
Rot. Bonds4

About 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide

2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide (PubChem CID 61347220) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide
PubChem CID61347220
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C14H13N3O3S/c1-8(18)9-2-4-10(5-3-9)16-14(20)17-13-11(12(15)19)6-7-21-13/h2-7H,1H3,(H2,15,19)(H2,16,17,20)
InChIKeyFWOAGHXYBRHMAM-UHFFFAOYSA-N
XLogP2.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea
CID 61346657
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate
CID 166845681
[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate
CID 7996489
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[(2,2,2-trichloroacetyl)carbamoylamino]thiophene-3-carboxamide
CID 59715453
1-(4-acetylphenyl)-3-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
CID 91225385
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
CID 61347023
1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895413
2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 59767724

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide (CID 61347220) is 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide is CC(=O)c1ccc(NC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide?
The InChIKey is FWOAGHXYBRHMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-8(18)9-2-4-10(5-3-9)16-14(20)17-13-11(12(15)19)6-7-21-13/h2-7H,1H3,(H2,15,19)(H2,16,17,20).
What are the key properties of 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide?
2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 61347220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).