N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide

C13H12ClNOS — CID 2481080

IUPACN-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H12ClNOS/c1-9-6-7-17-12(9)13(16)15-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyHOGRKLKPZCHMEE-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.64
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide

N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 2481080) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID2481080
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H12ClNOS/c1-9-6-7-17-12(9)13(16)15-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyHOGRKLKPZCHMEE-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 ≤ 500265.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
3-methyl-N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 51114590
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
(E)-N-[(2-chlorophenyl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9165268
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
N-[[3-(chloromethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 113272785
2-benzyl-N-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084159
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide (CID 2481080) is N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is HOGRKLKPZCHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9-6-7-17-12(9)13(16)15-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 265.76 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-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2481080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).