N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide

C27H24N2O3S2 — CID 2953057

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H24N2O3S2/c1-20-12-14-23(15-13-20)29-34(31,32)25-18-16-22(17-19-25)28-27(30)26(21-8-4-2-5-9-21)33-24-10-6-3-7-11-24/h2-19,26,29H,1H3,(H,28,30)
InChIKeyGLCDTFNDLPLWFS-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.27
Rot. Bonds8

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2953057) has the molecular formula C27H24N2O3S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2953057
Molecular FormulaC27H24N2O3S2
Molecular Weight488.63 g/mol
Exact Mass488.12
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H24N2O3S2/c1-20-12-14-23(15-13-20)29-34(31,32)25-18-16-22(17-19-25)28-27(30)26(21-8-4-2-5-9-21)33-24-10-6-3-7-11-24/h2-19,26,29H,1H3,(H,28,30)
InChIKeyGLCDTFNDLPLWFS-UHFFFAOYSA-N
XLogP6.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21169527
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 23099752
4-methyl-N-[4-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23096211
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide (CID 2953057) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is GLCDTFNDLPLWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S2/c1-20-12-14-23(15-13-20)29-34(31,32)25-18-16-22(17-19-25)28-27(30)26(21-8-4-2-5-9-21)33-24-10-6-3-7-11-24/h2-19,26,29H,1H3,(H,28,30).
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 488.63 g/mol, XLogP of 6.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2953057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).