4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide

C18H23N3O3S2 — CID 92664129

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-20(2)26(23,24)21(3)16-11-9-15(10-12-16)18(22)19-13-14-25-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,19,22)
InChIKeyUNXKPQRXHOYMGJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.45
Rot. Bonds8

About 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 92664129) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
PubChem CID92664129
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-20(2)26(23,24)21(3)16-11-9-15(10-12-16)18(22)19-13-14-25-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,19,22)
InChIKeyUNXKPQRXHOYMGJ-UHFFFAOYSA-N
XLogP2.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.45
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

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664134
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 2198136
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891232
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
CID 18891092
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53283301
4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
CID 53283277
4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 27887946
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide (CID 92664129) is 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is UNXKPQRXHOYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-20(2)26(23,24)21(3)16-11-9-15(10-12-16)18(22)19-13-14-25-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,19,22).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 92664129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).