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

C18H25ClN2O3S — CID 42989106

IUPAC2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
SMILESC=CCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3S/c1-3-12-21(25(23,24)16-10-8-15(19)9-11-16)13-18(22)20-17-7-5-4-6-14(17)2/h3,8-11,14,17H,1,4-7,12-13H2,2H3,(H,20,22)
InChIKeyMWXLZLIDVDSWOB-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.21
Rot. Bonds7

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

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 42989106) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
PubChem CID42989106
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
SMILESC=CCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3S/c1-3-12-21(25(23,24)16-10-8-15(19)9-11-16)13-18(22)20-17-7-5-4-6-14(17)2/h3,8-11,14,17H,1,4-7,12-13H2,2H3,(H,20,22)
InChIKeyMWXLZLIDVDSWOB-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.21
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-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4786607
2-[(4-acetamidophenyl)sulfonyl-prop-2-enylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7919293
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7918992
N-(4-chloro-2-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17398186
2-[(3,4-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 43037231
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 15992422
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 4964811
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8744110

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide (CID 42989106) is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide is C=CCN(CC(=O)NC1CCCCC1C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is MWXLZLIDVDSWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-3-12-21(25(23,24)16-10-8-15(19)9-11-16)13-18(22)20-17-7-5-4-6-14(17)2/h3,8-11,14,17H,1,4-7,12-13H2,2H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 384.93 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 42989106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).