N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide

C17H24N2O3S — CID 84592111

IUPACN-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide
SMILESCCC(C)NS(=O)(=O)Cc1cccc(NC(=O)C2=CCCC2)c1
InChIInChI=1S/C17H24N2O3S/c1-3-13(2)19-23(21,22)12-14-7-6-10-16(11-14)18-17(20)15-8-4-5-9-15/h6-8,10-11,13,19H,3-5,9,12H2,1-2H3,(H,18,20)
InChIKeyPYCBQJASNMLBNN-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.95
Rot. Bonds7

About N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide

N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide (PubChem CID 84592111) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide
PubChem CID84592111
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide
SMILESCCC(C)NS(=O)(=O)Cc1cccc(NC(=O)C2=CCCC2)c1
InChIInChI=1S/C17H24N2O3S/c1-3-13(2)19-23(21,22)12-14-7-6-10-16(11-14)18-17(20)15-8-4-5-9-15/h6-8,10-11,13,19H,3-5,9,12H2,1-2H3,(H,18,20)
InChIKeyPYCBQJASNMLBNN-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056207
N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97101295
N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide
CID 97095744
1-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122088207
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 146123313
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166189433
N-[(2R)-butan-2-yl]-1-[3-(thian-4-ylamino)phenyl]methanesulfonamide
CID 97079815
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
methyl 4-[[(2S)-butan-2-yl]sulfamoylmethyl]benzoate
CID 28633793
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
N-pentan-2-yl-1-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106046672

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide (CID 84592111) is N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide is CCC(C)NS(=O)(=O)Cc1cccc(NC(=O)C2=CCCC2)c1.
What is the InChIKey of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide?
The InChIKey is PYCBQJASNMLBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-13(2)19-23(21,22)12-14-7-6-10-16(11-14)18-17(20)15-8-4-5-9-15/h6-8,10-11,13,19H,3-5,9,12H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide?
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 84592111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).