N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide

C13H12ClNOS — CID 1246739

IUPACN-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H12ClNOS/c1-9-5-11(8-17-9)13(16)15-7-10-3-2-4-12(14)6-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyDFONEUBPJBMKDN-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.64
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide

N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide (PubChem CID 1246739) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
PubChem CID1246739
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC NameN-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H12ClNOS/c1-9-5-11(8-17-9)13(16)15-7-10-3-2-4-12(14)6-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyDFONEUBPJBMKDN-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[(3-chlorophenyl)methyl]thiophene-3-carboxamide
CID 79683790
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide (CID 1246739) is N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NCc2cccc(Cl)c2)cs1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide?
The InChIKey is DFONEUBPJBMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9-5-11(8-17-9)13(16)15-7-10-3-2-4-12(14)6-10/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide?
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide has a molecular weight of 265.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1246739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).