N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

C22H31FN2O3S — CID 5323473

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H31FN2O3S/c23-20-10-12-21(13-11-20)29(27,28)25-16-18-6-8-19(9-7-18)22(26)24-15-14-17-4-2-1-3-5-17/h4,10-13,18-19,25H,1-3,5-9,14-16H2,(H,24,26)
InChIKeyRKPLMLYMPCFIKA-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.92
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 5323473) has the molecular formula C22H31FN2O3S and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID5323473
Molecular FormulaC22H31FN2O3S
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H31FN2O3S/c23-20-10-12-21(13-11-20)29(27,28)25-16-18-6-8-19(9-7-18)22(26)24-15-14-17-4-2-1-3-5-17/h4,10-13,18-19,25H,1-3,5-9,14-16H2,(H,24,26)
InChIKeyRKPLMLYMPCFIKA-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649798
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 3467303
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7624090
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 71856999
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146370
N'-[2-(cyclohexen-1-yl)ethyl]-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194488
2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 126139073

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 5323473) is N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is O=C(NCCC1=CCCCC1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is RKPLMLYMPCFIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O3S/c23-20-10-12-21(13-11-20)29(27,28)25-16-18-6-8-19(9-7-18)22(26)24-15-14-17-4-2-1-3-5-17/h4,10-13,18-19,25H,1-3,5-9,14-16H2,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5323473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).