N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

C29H27N3O2S — CID 19712544

IUPACN-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)C(Sc2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C29H27N3O2S/c1-20-13-18-26(21(2)19-20)32-28(33)27(22-9-5-3-6-10-22)35-25-16-14-24(15-17-25)31-29(34)30-23-11-7-4-8-12-23/h3-19,27H,1-2H3,(H,32,33)(H2,30,31,34)
InChIKeyYKIPISLUYLCAHX-UHFFFAOYSA-N
MW481.62 g/mol
LogP7.42
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (PubChem CID 19712544) has the molecular formula C29H27N3O2S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
PubChem CID19712544
Molecular FormulaC29H27N3O2S
Molecular Weight481.62 g/mol
Exact Mass481.18
IUPAC NameN-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)C(Sc2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C29H27N3O2S/c1-20-13-18-26(21(2)19-20)32-28(33)27(22-9-5-3-6-10-22)35-25-16-14-24(15-17-25)31-29(34)30-23-11-7-4-8-12-23/h3-19,27H,1-2H3,(H,32,33)(H2,30,31,34)
InChIKeyYKIPISLUYLCAHX-UHFFFAOYSA-N
XLogP7.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 19631343
N-[4-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782001
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
N-[(Z)-3-[4-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22189713
N-[(Z)-3-[4-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22190133
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096
3-methyl-N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23101136
N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712560
(E)-N-[3-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18902029
N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 21169110
N-[(Z)-1-(2,6-dichlorophenyl)-3-[4-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21385335

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (CID 19712544) is N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is Cc1ccc(NC(=O)C(Sc2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The InChIKey is YKIPISLUYLCAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2S/c1-20-13-18-26(21(2)19-20)32-28(33)27(22-9-5-3-6-10-22)35-25-16-14-24(15-17-25)31-29(34)30-23-11-7-4-8-12-23/h3-19,27H,1-2H3,(H,32,33)(H2,30,31,34).
What are the key properties of N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide has a molecular weight of 481.62 g/mol, XLogP of 7.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 19712544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).