2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide

C25H29N3O5S3 — CID 3202196

IUPAC2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C25H29N3O5S3/c29-25(26-20-8-3-1-4-9-20)19-28(18-22-12-7-17-34-22)36(32,33)24-15-13-23(14-16-24)35(30,31)27-21-10-5-2-6-11-21/h1,3-4,7-9,12-17,21,27H,2,5-6,10-11,18-19H2,(H,26,29)
InChIKeyMFEDJQGOERVAHD-UHFFFAOYSA-N
MW547.72 g/mol
LogP4.19
Rot. Bonds10

About 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide

2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 3202196) has the molecular formula C25H29N3O5S3 and a molecular weight of 547.72 g/mol. Its IUPAC name is 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID3202196
Molecular FormulaC25H29N3O5S3
Molecular Weight547.72 g/mol
Exact Mass547.13
IUPAC Name2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C25H29N3O5S3/c29-25(26-20-8-3-1-4-9-20)19-28(18-22-12-7-17-34-22)36(32,33)24-15-13-23(14-16-24)35(30,31)27-21-10-5-2-6-11-21/h1,3-4,7-9,12-17,21,27H,2,5-6,10-11,18-19H2,(H,26,29)
InChIKeyMFEDJQGOERVAHD-UHFFFAOYSA-N
XLogP4.19
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.72
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-cyclohexyl-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)phenyl]glycinamide
CID 2202359
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 146013993
(2S)-4-(2-chloroacetyl)-N-phenyl-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423192
(2R)-4-(2-chloroacetyl)-N-phenyl-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423195
2-[(4-Cyclohexylsulfamoyl-benzenesulfonyl)-cyclopropyl-amino]-N-phenyl-acetamide
CID 647336
N-Phenyl-2-{[4-(piperidine-1-sulfonyl)-benzenesulfonyl]-thiophen-2-ylmethyl-amino}-acetamide
CID 1435696
Thiophene-2-carboxylic acid [4-(4-phenyl-piperazine-1-sulfonyl)-phenyl]-amide
CID 2215718
N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2526433
N~1~-[2-(cyclohexylthio)ethyl]-N~2~-(4-fluorophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2930393
N~1~-[2-(cyclohexylthio)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-phenylglycinamide
CID 2969909
2-{[4-(2-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-thiophen-2-ylmethyl-amino}-N-phenyl-acetamide
CID 3202200
N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4318851

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide (CID 3202196) is 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide is O=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is MFEDJQGOERVAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S3/c29-25(26-20-8-3-1-4-9-20)19-28(18-22-12-7-17-34-22)36(32,33)24-15-13-23(14-16-24)35(30,31)27-21-10-5-2-6-11-21/h1,3-4,7-9,12-17,21,27H,2,5-6,10-11,18-19H2,(H,26,29).
What are the key properties of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide?
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 547.72 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-(thiophen-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 3202196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).