N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C15H15ClN2O2S — CID 37032471

IUPACN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-9-3-5-11(7-12(9)16)18-14(19)8-17-15(20)13-6-4-10(2)21-13/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOFFZPZOARJQFRU-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 37032471) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID37032471
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-9-3-5-11(7-12(9)16)18-14(19)8-17-15(20)13-6-4-10(2)21-13/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOFFZPZOARJQFRU-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29411153
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55347433
N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4876435
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 37032471) is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)s1.
What is the InChIKey of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is OFFZPZOARJQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-9-3-5-11(7-12(9)16)18-14(19)8-17-15(20)13-6-4-10(2)21-13/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 37032471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).