N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide

C18H22N2O3S2 — CID 4780433

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCSc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S2/c1-20(2)25(22,23)17-11-6-8-15(14-17)19-18(21)12-7-13-24-16-9-4-3-5-10-16/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,19,21)
InChIKeyCRFGXJMRRPGLRJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.45
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide

N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide (PubChem CID 4780433) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
PubChem CID4780433
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCSc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S2/c1-20(2)25(22,23)17-11-6-8-15(14-17)19-18(21)12-7-13-24-16-9-4-3-5-10-16/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,19,21)
InChIKeyCRFGXJMRRPGLRJ-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 18075261
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 4057883
N-[3-(benzylsulfonylmethyl)phenyl]-4-phenylsulfanylbutanamide
CID 86961330
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide (CID 4780433) is N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCCSc2ccccc2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
The InChIKey is CRFGXJMRRPGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-20(2)25(22,23)17-11-6-8-15(14-17)19-18(21)12-7-13-24-16-9-4-3-5-10-16/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide has a molecular weight of 378.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide is sourced from PubChem (CID 4780433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).