1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide

C15H17NO3S — CID 24819532

IUPAC1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide
SMILESC=CCNC(=O)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C15H17NO3S/c1-2-12-16-14(17)15(10-6-7-11-15)20(18,19)13-8-4-3-5-9-13/h2-9H,1,10-12H2,(H,16,17)
InChIKeyYGBUBRYQFHOXAZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.85
Rot. Bonds5

About 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide

1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide (PubChem CID 24819532) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide
PubChem CID24819532
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide
SMILESC=CCNC(=O)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C15H17NO3S/c1-2-12-16-14(17)15(10-6-7-11-15)20(18,19)13-8-4-3-5-9-13/h2-9H,1,10-12H2,(H,16,17)
InChIKeyYGBUBRYQFHOXAZ-UHFFFAOYSA-N
XLogP1.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-N-propylcyclopent-3-ene-1-carboxamide
CID 24816510
1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 118768125
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
methyl 1-(benzenesulfonyl)cyclonon-3-ene-1-carboxylate
CID 71404997
(2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide
CID 129402685
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
2-[1-(benzenesulfonyl)cyclopropanecarbonyl]oxyethyl 1-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 118199306
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
CID 98185678
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-prop-2-enylacetamide
CID 2264372
2-naphthalen-1-yl-N-prop-2-enylacetamide
CID 60636686
1-[1-(benzenesulfonyl)cyclobutyl]ethanone
CID 115042670

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide (CID 24819532) is 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide is C=CCNC(=O)C1(S(=O)(=O)c2ccccc2)CC=CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide?
The InChIKey is YGBUBRYQFHOXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-12-16-14(17)15(10-6-7-11-15)20(18,19)13-8-4-3-5-9-13/h2-9H,1,10-12H2,(H,16,17).
What are the key properties of 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide?
1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 24819532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).