N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C16H18N2O2S — CID 26661051

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C16H18N2O2S/c1-10-5-4-6-13(12(10)3)18-15(19)9-17-16(20)14-8-7-11(2)21-14/h4-8H,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKXMFRXCLALXOCX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 26661051) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID26661051
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C16H18N2O2S/c1-10-5-4-6-13(12(10)3)18-15(19)9-17-16(20)14-8-7-11(2)21-14/h4-8H,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKXMFRXCLALXOCX-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
5-methyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]thiophene-2-carboxamide
CID 60512469
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 60778066
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18109519
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 26661051) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)s1.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KXMFRXCLALXOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-5-4-6-13(12(10)3)18-15(19)9-17-16(20)14-8-7-11(2)21-14/h4-8H,9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 26661051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).