N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C19H26N2O3S — CID 18108486

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c22-19(20-13-12-16-6-2-1-3-7-16)17-8-10-18(11-9-17)25(23,24)21-14-4-5-15-21/h6,8-11H,1-5,7,12-15H2,(H,20,22)
InChIKeyAJDXCNKUJDDTQY-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 18108486) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID18108486
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c22-19(20-13-12-16-6-2-1-3-7-16)17-8-10-18(11-9-17)25(23,24)21-14-4-5-15-21/h6,8-11H,1-5,7,12-15H2,(H,20,22)
InChIKeyAJDXCNKUJDDTQY-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.09
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

4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 23608824
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859102
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 18108486) is N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is AJDXCNKUJDDTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-19(20-13-12-16-6-2-1-3-7-16)17-8-10-18(11-9-17)25(23,24)21-14-4-5-15-21/h6,8-11H,1-5,7,12-15H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 362.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18108486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).