2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

C18H28N2O3S — CID 18121313

IUPAC2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CC1CCCC1
InChIInChI=1S/C18H28N2O3S/c1-14(2)20-24(22,23)13-17-10-6-5-9-16(17)12-19-18(21)11-15-7-3-4-8-15/h5-6,9-10,14-15,20H,3-4,7-8,11-13H2,1-2H3,(H,19,21)
InChIKeyVELSMKCTBOFBCP-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.71
Rot. Bonds8

About 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 18121313) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID18121313
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CC1CCCC1
InChIInChI=1S/C18H28N2O3S/c1-14(2)20-24(22,23)13-17-10-6-5-9-16(17)12-19-18(21)11-15-7-3-4-8-15/h5-6,9-10,14-15,20H,3-4,7-8,11-13H2,1-2H3,(H,19,21)
InChIKeyVELSMKCTBOFBCP-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119755229
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
(2S,4S)-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120626375
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 18121351
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (CID 18121313) is 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is VELSMKCTBOFBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)20-24(22,23)13-17-10-6-5-9-16(17)12-19-18(21)11-15-7-3-4-8-15/h5-6,9-10,14-15,20H,3-4,7-8,11-13H2,1-2H3,(H,19,21).
What are the key properties of 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18121313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).