2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide

C19H28N2O3S — CID 113149168

IUPAC2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(CCC2=CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-16-9-11-18(12-10-16)20-19(22)15-21(25(2,23)24)14-13-17-7-5-4-6-8-17/h7,9-12H,3-6,8,13-15H2,1-2H3,(H,20,22)
InChIKeySJIHYOQRKUBTDV-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.34
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide

2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide (PubChem CID 113149168) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
PubChem CID113149168
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(CCC2=CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-16-9-11-18(12-10-16)20-19(22)15-21(25(2,23)24)14-13-17-7-5-4-6-8-17/h7,9-12H,3-6,8,13-15H2,1-2H3,(H,20,22)
InChIKeySJIHYOQRKUBTDV-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.34
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

N-(3-chloro-4-fluorophenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149187
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide
CID 113149178
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
N-(5-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149184
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159748
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113151399
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
CID 113149130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide (CID 113149168) is 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(CCC2=CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide?
The InChIKey is SJIHYOQRKUBTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-16-9-11-18(12-10-16)20-19(22)15-21(25(2,23)24)14-13-17-7-5-4-6-8-17/h7,9-12H,3-6,8,13-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide?
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide has a molecular weight of 364.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 113149168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).