3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

C19H24N2O3S2 — CID 32964878

IUPAC3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S2/c1-3-21-26(23,24)18-6-4-5-17(13-18)19(22)20-11-12-25-14-16-9-7-15(2)8-10-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,20,22)
InChIKeyLSZHLBAHUGVUAS-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.96
Rot. Bonds9

About 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 32964878) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID32964878
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S2/c1-3-21-26(23,24)18-6-4-5-17(13-18)19(22)20-11-12-25-14-16-9-7-15(2)8-10-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,20,22)
InChIKeyLSZHLBAHUGVUAS-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.96
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

N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide
CID 32965738
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 3949074
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414743
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide
CID 7582460
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 32964700
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27824385
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414764

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 32964878) is 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(C)cc2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is LSZHLBAHUGVUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-3-21-26(23,24)18-6-4-5-17(13-18)19(22)20-11-12-25-14-16-9-7-15(2)8-10-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,20,22).
What are the key properties of 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 392.55 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 32964878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).