N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide

C18H22N2O3S2 — CID 32965738

IUPACN-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S2/c1-2-20-25(22,23)17-10-6-9-16(13-17)18(21)19-11-12-24-14-15-7-4-3-5-8-15/h3-10,13,20H,2,11-12,14H2,1H3,(H,19,21)
InChIKeyOAIAOFLAWPQYFD-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.65
Rot. Bonds9

About N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide

N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide (PubChem CID 32965738) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide
PubChem CID32965738
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S2/c1-2-20-25(22,23)17-10-6-9-16(13-17)18(21)19-11-12-24-14-15-7-4-3-5-8-15/h3-10,13,20H,2,11-12,14H2,1H3,(H,19,21)
InChIKeyOAIAOFLAWPQYFD-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 32964878
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414764
3-(ethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 55523331
N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
CID 134057652
3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33134557
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(diethylsulfamoyl)benzamide
CID 24548866

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide (CID 32965738) is N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2)c1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide?
The InChIKey is OAIAOFLAWPQYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-2-20-25(22,23)17-10-6-9-16(13-17)18(21)19-11-12-24-14-15-7-4-3-5-8-15/h3-10,13,20H,2,11-12,14H2,1H3,(H,19,21).
What are the key properties of N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide?
N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 32965738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).