2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide

C24H24N2O2S — CID 55609795

IUPAC2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O2S/c1-17(2)23(27)25-19-12-9-13-20(16-19)26-24(28)22(18-10-5-3-6-11-18)29-21-14-7-4-8-15-21/h3-17,22H,1-2H3,(H,25,27)(H,26,28)
InChIKeyAHLNMVSKXBIRNO-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.75
Rot. Bonds7

About 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide

2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide (PubChem CID 55609795) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
PubChem CID55609795
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O2S/c1-17(2)23(27)25-19-12-9-13-20(16-19)26-24(28)22(18-10-5-3-6-11-18)29-21-14-7-4-8-15-21/h3-17,22H,1-2H3,(H,25,27)(H,26,28)
InChIKeyAHLNMVSKXBIRNO-UHFFFAOYSA-N
XLogP5.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2268280
N-(3,5-difluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 17271870
2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
CID 18894387
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
dimethyl 5-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzene-1,3-dicarboxylate
CID 2862583
2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188
N-[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901729
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134062896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide (CID 55609795) is 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide is CC(C)C(=O)Nc1cccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide?
The InChIKey is AHLNMVSKXBIRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17(2)23(27)25-19-12-9-13-20(16-19)26-24(28)22(18-10-5-3-6-11-18)29-21-14-7-4-8-15-21/h3-17,22H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide?
2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide has a molecular weight of 404.54 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 55609795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).