N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide

C21H29NO3S — CID 74627748

IUPACN-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
SMILESC=C(CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C21H29NO3S/c1-16-8-10-20(11-9-16)26(24,25)22(15-21(3)12-19(23)13-21)14-17(2)18-6-4-5-7-18/h8-11,18H,2,4-7,12-15H2,1,3H3
InChIKeyUJHBODLGBPSIOA-UHFFFAOYSA-N
MW375.53 g/mol
LogP4.10
Rot. Bonds7

About N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide

N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide (PubChem CID 74627748) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
PubChem CID74627748
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC NameN-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
SMILESC=C(CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C21H29NO3S/c1-16-8-10-20(11-9-16)26(24,25)22(15-21(3)12-19(23)13-21)14-17(2)18-6-4-5-7-18/h8-11,18H,2,4-7,12-15H2,1,3H3
InChIKeyUJHBODLGBPSIOA-UHFFFAOYSA-N
XLogP4.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489
N-(2-(4-Fluorophenyl)allyl)-4-methyl-N-((1-methyl-3-oxocyclobutyl)methyl)benzenesulfonamide
CID 74627737
1-(4-Methylphenyl)sulfonylpiperidine-4-carbonyl fluoride
CID 177851599
4-Methyl-2-(4-methylphenyl)sulfonyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11022665
N,4-dimethyl-N-[(1S,5R,6S)-7-oxo-6-bicyclo[3.2.0]heptanyl]benzenesulfonamide
CID 12995808
N-[(1S,2R)-2-butyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
CID 12997090
2-Tosyl-2,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5(1H)-one
CID 9838502
4-Butyl-2-(4-methylphenyl)sulfonyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11450438
5-(Tert-butyl)-4-methyl-1-tosyl-1,6-dihydropyridin-3(2H)-one
CID 71270310
2-Tosyl-2-azaspiro[3.3]heptan-6-one
CID 118703371
1-[(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanone
CID 165116718

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide (CID 74627748) is N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide is C=C(CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1)C1CCCC1.
What is the InChIKey of N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The InChIKey is UJHBODLGBPSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-16-8-10-20(11-9-16)26(24,25)22(15-21(3)12-19(23)13-21)14-17(2)18-6-4-5-7-18/h8-11,18H,2,4-7,12-15H2,1,3H3.
What are the key properties of N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide has a molecular weight of 375.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylprop-2-enyl)-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 74627748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).