N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide

C20H24N2O2S — CID 27807987

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CCSc2ccccc2)c1C
InChIInChI=1S/C20H24N2O2S/c1-15-8-7-11-18(16(15)2)21-19(23)14-22(3)20(24)12-13-25-17-9-5-4-6-10-17/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeySZWYJHSELMVXLV-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide (PubChem CID 27807987) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
PubChem CID27807987
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CCSc2ccccc2)c1C
InChIInChI=1S/C20H24N2O2S/c1-15-8-7-11-18(16(15)2)21-19(23)14-22(3)20(24)12-13-25-17-9-5-4-6-10-17/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeySZWYJHSELMVXLV-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380
4-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]benzoic acid
CID 119181081
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 51276851
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9438819
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
CID 55757962
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide (CID 27807987) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide is Cc1cccc(NC(=O)CN(C)C(=O)CCSc2ccccc2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
The InChIKey is SZWYJHSELMVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-8-7-11-18(16(15)2)21-19(23)14-22(3)20(24)12-13-25-17-9-5-4-6-10-17/h4-11H,12-14H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide has a molecular weight of 356.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 27807987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).