N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C20H20N2O3S3 — CID 26444819

IUPACN-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H20N2O3S3/c23-20(21-11-13-27-17-7-2-1-3-8-17)16-6-4-10-19(14-16)28(24,25)22-15-18-9-5-12-26-18/h1-10,12,14,22H,11,13,15H2,(H,21,23)
InChIKeyHTMFSLVWCZQAGR-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.75
Rot. Bonds9

About N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 26444819) has the molecular formula C20H20N2O3S3 and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID26444819
Molecular FormulaC20H20N2O3S3
Molecular Weight432.59 g/mol
Exact Mass432.06
IUPAC NameN-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H20N2O3S3/c23-20(21-11-13-27-17-7-2-1-3-8-17)16-6-4-10-19(14-16)28(24,25)22-15-18-9-5-12-26-18/h1-10,12,14,22H,11,13,15H2,(H,21,23)
InChIKeyHTMFSLVWCZQAGR-UHFFFAOYSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 38570641
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 26444819) is N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is HTMFSLVWCZQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S3/c23-20(21-11-13-27-17-7-2-1-3-8-17)16-6-4-10-19(14-16)28(24,25)22-15-18-9-5-12-26-18/h1-10,12,14,22H,11,13,15H2,(H,21,23).
What are the key properties of N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 432.59 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 26444819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).