5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide

C17H16N2O3S — CID 18132739

IUPAC5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)s1
InChIInChI=1S/C17H16N2O3S/c1-10(20)14-8-9-15(23-14)17(22)19-12-4-2-11(3-5-12)16(21)18-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyVNMSHZVGWOFEIQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.10
Rot. Bonds5

About 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide

5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 18132739) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID18132739
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)s1
InChIInChI=1S/C17H16N2O3S/c1-10(20)14-8-9-15(23-14)17(22)19-12-4-2-11(3-5-12)16(21)18-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyVNMSHZVGWOFEIQ-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-cyclopropylthiophene-2-carboxamide
CID 9080124
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-[4-[(4-ethylcyclohexyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 112816443
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 51299789

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 18132739) is 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)s1.
What is the InChIKey of 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is VNMSHZVGWOFEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10(20)14-8-9-15(23-14)17(22)19-12-4-2-11(3-5-12)16(21)18-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18132739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).