N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide

C19H28N2O3S — CID 4786607

IUPACN-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N2O3S/c1-4-13-21(25(23,24)17-11-9-15(2)10-12-17)14-19(22)20-18-8-6-5-7-16(18)3/h4,9-12,16,18H,1,5-8,13-14H2,2-3H3,(H,20,22)
InChIKeyOKVSQNMBWCFNNX-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.87
Rot. Bonds7

About N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide

N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide (PubChem CID 4786607) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide
PubChem CID4786607
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N2O3S/c1-4-13-21(25(23,24)17-11-9-15(2)10-12-17)14-19(22)20-18-8-6-5-7-16(18)3/h4,9-12,16,18H,1,5-8,13-14H2,2-3H3,(H,20,22)
InChIKeyOKVSQNMBWCFNNX-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.87
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

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
CID 42989106
2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7919293
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2482590
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8743015
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557433
2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 43037231
2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42902865
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide (CID 4786607) is N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide?
The InChIKey is OKVSQNMBWCFNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-4-13-21(25(23,24)17-11-9-15(2)10-12-17)14-19(22)20-18-8-6-5-7-16(18)3/h4,9-12,16,18H,1,5-8,13-14H2,2-3H3,(H,20,22).
What are the key properties of N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide?
N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide has a molecular weight of 364.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 4786607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).