N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

C17H22F2N2O3S — CID 29261799

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCC1=CCCCC1
InChIInChI=1S/C17H22F2N2O3S/c18-15-7-6-14(12-16(15)19)25(23,24)21-11-9-17(22)20-10-8-13-4-2-1-3-5-13/h4,6-7,12,21H,1-3,5,8-11H2,(H,20,22)
InChIKeyIMQAPQSIGGKDGH-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 29261799) has the molecular formula C17H22F2N2O3S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID29261799
Molecular FormulaC17H22F2N2O3S
Molecular Weight372.44 g/mol
Exact Mass372.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCC1=CCCCC1
InChIInChI=1S/C17H22F2N2O3S/c18-15-7-6-14(12-16(15)19)25(23,24)21-11-9-17(22)20-10-8-13-4-2-1-3-5-13/h4,6-7,12,21H,1-3,5,8-11H2,(H,20,22)
InChIKeyIMQAPQSIGGKDGH-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.64
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]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide 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

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 92687792
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide
CID 75420036
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
CID 103844649
2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 126139073
N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46433666
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 29261799) is N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is IMQAPQSIGGKDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3S/c18-15-7-6-14(12-16(15)19)25(23,24)21-11-9-17(22)20-10-8-13-4-2-1-3-5-13/h4,6-7,12,21H,1-3,5,8-11H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 372.44 g/mol, XLogP of 2.64, 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]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 29261799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).