4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide

C19H21ClN2O3S — CID 51163475

IUPAC4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H21ClN2O3S/c1-3-13-6-4-5-7-14(13)21-18(24)12-22(2)19(25)11-8-15(23)16-9-10-17(20)26-16/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,24)
InChIKeyCEYUHMRVCYBBRH-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.02
Rot. Bonds8

About 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide (PubChem CID 51163475) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
PubChem CID51163475
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H21ClN2O3S/c1-3-13-6-4-5-7-14(13)21-18(24)12-22(2)19(25)11-8-15(23)16-9-10-17(20)26-16/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,24)
InChIKeyCEYUHMRVCYBBRH-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 27808264
N-methyl-4-(5-methylthiophen-2-yl)-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 9428704
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55661305
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropylsulfonyl)propanamide
CID 87000636
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-ium-4-ylacetamide
CID 8903823

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide (CID 51163475) is 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide is CCc1ccccc1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
The InChIKey is CEYUHMRVCYBBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-13-6-4-5-7-14(13)21-18(24)12-22(2)19(25)11-8-15(23)16-9-10-17(20)26-16/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,24).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide has a molecular weight of 392.91 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 51163475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).