N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide

C25H28N2O3S2 — CID 60584976

IUPACN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S2/c1-19(2)27(3)32(29,30)23-16-14-20(15-17-23)18-26-25(28)24(21-10-6-4-7-11-21)31-22-12-8-5-9-13-22/h4-17,19,24H,18H2,1-3H3,(H,26,28)
InChIKeySGFIYQPYBUTSLF-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.87
Rot. Bonds9

About N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide

N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 60584976) has the molecular formula C25H28N2O3S2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID60584976
Molecular FormulaC25H28N2O3S2
Molecular Weight468.64 g/mol
Exact Mass468.15
IUPAC NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S2/c1-19(2)27(3)32(29,30)23-16-14-20(15-17-23)18-26-25(28)24(21-10-6-4-7-11-21)31-22-12-8-5-9-13-22/h4-17,19,24H,18H2,1-3H3,(H,26,28)
InChIKeySGFIYQPYBUTSLF-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
2-methyl-1-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111676977
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60545485
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 47731867
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
1-benzyl-1,2-dimethyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 110950418

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide (CID 60584976) is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide is CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is SGFIYQPYBUTSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S2/c1-19(2)27(3)32(29,30)23-16-14-20(15-17-23)18-26-25(28)24(21-10-6-4-7-11-21)31-22-12-8-5-9-13-22/h4-17,19,24H,18H2,1-3H3,(H,26,28).
What are the key properties of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 468.64 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 60584976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).