2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide

C17H23N3O5S3 — CID 30839132

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H23N3O5S3/c1-13(2)19-27(22,23)15-7-4-6-14(10-15)11-18-16(21)12-20(3)28(24,25)17-8-5-9-26-17/h4-10,13,19H,11-12H2,1-3H3,(H,18,21)
InChIKeyGEOBPAQPUWOILG-UHFFFAOYSA-N
MW445.59 g/mol
LogP1.37
Rot. Bonds9

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 30839132) has the molecular formula C17H23N3O5S3 and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
PubChem CID30839132
Molecular FormulaC17H23N3O5S3
Molecular Weight445.59 g/mol
Exact Mass445.08
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H23N3O5S3/c1-13(2)19-27(22,23)15-7-4-6-14(10-15)11-18-16(21)12-20(3)28(24,25)17-8-5-9-26-17/h4-10,13,19H,11-12H2,1-3H3,(H,18,21)
InChIKeyGEOBPAQPUWOILG-UHFFFAOYSA-N
XLogP1.37
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707253
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 30839055
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115643486
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide (CID 30839132) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)CN(C)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is GEOBPAQPUWOILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S3/c1-13(2)19-27(22,23)15-7-4-6-14(10-15)11-18-16(21)12-20(3)28(24,25)17-8-5-9-26-17/h4-10,13,19H,11-12H2,1-3H3,(H,18,21).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 445.59 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 30839132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).