N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide

C18H22N2O3S2 — CID 55824374

IUPACN-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide
SMILESCC(SCc1ccccc1)C(=O)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S2/c1-15(24-14-17-11-7-4-8-12-17)18(21)19-25(22,23)20(2)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,19,21)
InChIKeyFJJSRONDINFBFU-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.80
Rot. Bonds8

About N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide

N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide (PubChem CID 55824374) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide
PubChem CID55824374
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide
SMILESCC(SCc1ccccc1)C(=O)NS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S2/c1-15(24-14-17-11-7-4-8-12-17)18(21)19-25(22,23)20(2)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,19,21)
InChIKeyFJJSRONDINFBFU-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
2-benzylsulfanyl-N-(methylcarbamoyl)propanamide
CID 16527785
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
(2S)-2-benzylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 126135835
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147
(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 1007969

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide (CID 55824374) is N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide is CC(SCc1ccccc1)C(=O)NS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide?
The InChIKey is FJJSRONDINFBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-15(24-14-17-11-7-4-8-12-17)18(21)19-25(22,23)20(2)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,19,21).
What are the key properties of N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide?
N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide is sourced from PubChem (CID 55824374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).