N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide

C18H26N2O3S — CID 31266853

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-14-8-9-16(24(2,22)23)12-17(14)20-13-18(21)19-11-10-15-6-4-3-5-7-15/h6,8-9,12,20H,3-5,7,10-11,13H2,1-2H3,(H,19,21)
InChIKeyOJFNAHUDLBAJDL-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.82
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide (PubChem CID 31266853) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
PubChem CID31266853
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-14-8-9-16(24(2,22)23)12-17(14)20-13-18(21)19-11-10-15-6-4-3-5-7-15/h6,8-9,12,20H,3-5,7,10-11,13H2,1-2H3,(H,19,21)
InChIKeyOJFNAHUDLBAJDL-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4606555
2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997
2-[(3R)-3-methylpiperazin-1-yl]-1-(6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 71472075
N-Ethyl-2-[(4-methylsulfanyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 653351
2-{(2-ethylphenyl)[(4-methylphenyl)sulfonyl]amino}-N-benzylacetamide
CID 1000070
N-(2-Methylpropyl)-2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamide
CID 1141990
N~2~-cyclohexyl-N~2~-(methylsulfonyl)-N~1~-[3-(methylthio)phenyl]glycinamide
CID 1292057

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide (CID 31266853) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide is Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
The InChIKey is OJFNAHUDLBAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-8-9-16(24(2,22)23)12-17(14)20-13-18(21)19-11-10-15-6-4-3-5-7-15/h6,8-9,12,20H,3-5,7,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide has a molecular weight of 350.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide is sourced from PubChem (CID 31266853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).