N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide

C20H26N2O3S2 — CID 18075261

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-3-22(4-2)27(24,25)19-14-12-17(13-15-19)21-20(23)11-8-16-26-18-9-6-5-7-10-18/h5-7,9-10,12-15H,3-4,8,11,16H2,1-2H3,(H,21,23)
InChIKeyGDSVEKVEKSOUIF-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.23
Rot. Bonds10

About N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide

N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide (PubChem CID 18075261) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
PubChem CID18075261
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-3-22(4-2)27(24,25)19-14-12-17(13-15-19)21-20(23)11-8-16-26-18-9-6-5-7-10-18/h5-7,9-10,12-15H,3-4,8,11,16H2,1-2H3,(H,21,23)
InChIKeyGDSVEKVEKSOUIF-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.23
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-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide
CID 26352530
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 27828585
5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
CID 38766346

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide (CID 18075261) is N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
The InChIKey is GDSVEKVEKSOUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-3-22(4-2)27(24,25)19-14-12-17(13-15-19)21-20(23)11-8-16-26-18-9-6-5-7-10-18/h5-7,9-10,12-15H,3-4,8,11,16H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide?
N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide has a molecular weight of 406.57 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide is sourced from PubChem (CID 18075261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).