4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide

C18H17N3O2S — CID 154840868

IUPAC4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(C#N)cs1
InChIInChI=1S/C18H17N3O2S/c1-21(18(23)16-8-13(9-19)11-24-16)10-12-2-4-14(5-3-12)17(22)20-15-6-7-15/h2-5,8,11,15H,6-7,10H2,1H3,(H,20,22)
InChIKeyFDZNVTCWMTVZNA-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.78
Rot. Bonds5

About 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide

4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide (PubChem CID 154840868) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
PubChem CID154840868
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(C#N)cs1
InChIInChI=1S/C18H17N3O2S/c1-21(18(23)16-8-13(9-19)11-24-16)10-12-2-4-14(5-3-12)17(22)20-15-6-7-15/h2-5,8,11,15H,6-7,10H2,1H3,(H,20,22)
InChIKeyFDZNVTCWMTVZNA-UHFFFAOYSA-N
XLogP2.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
CID 79611124
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 30797400
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
CID 37344285
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46565897
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide (CID 154840868) is 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(C#N)cs1.
What is the InChIKey of 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is FDZNVTCWMTVZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21(18(23)16-8-13(9-19)11-24-16)10-12-2-4-14(5-3-12)17(22)20-15-6-7-15/h2-5,8,11,15H,6-7,10H2,1H3,(H,20,22).
What are the key properties of 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide?
4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 154840868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).