4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide

C15H13ClN2OS — CID 3294417

IUPAC4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H13ClN2OS/c1-3-12-9(2)20-15(13(12)8-17)18-14(19)10-4-6-11(16)7-5-10/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyQYQYTSZVBUJRBL-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide

4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide (PubChem CID 3294417) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
PubChem CID3294417
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H13ClN2OS/c1-3-12-9(2)20-15(13(12)8-17)18-14(19)10-4-6-11(16)7-5-10/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyQYQYTSZVBUJRBL-UHFFFAOYSA-N
XLogP4.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17174170
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
CID 3610658
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide
CID 4244032
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2217163
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309667
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5096891
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 17253032
2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168969
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide (CID 3294417) is 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide is CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide?
The InChIKey is QYQYTSZVBUJRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-3-12-9(2)20-15(13(12)8-17)18-14(19)10-4-6-11(16)7-5-10/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide?
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide has a molecular weight of 304.80 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide is sourced from PubChem (CID 3294417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).