2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide

C18H27ClN2O4S — CID 30219781

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O4S/c1-26(23,24)21(16-10-8-15(19)9-11-16)14-18(22)20-12-5-13-25-17-6-3-2-4-7-17/h8-11,17H,2-7,12-14H2,1H3,(H,20,22)
InChIKeyMSXOVJMWPZSBNA-UHFFFAOYSA-N
MW402.94 g/mol
LogP2.96
Rot. Bonds9

About 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 30219781) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID30219781
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O4S/c1-26(23,24)21(16-10-8-15(19)9-11-16)14-18(22)20-12-5-13-25-17-6-3-2-4-7-17/h8-11,17H,2-7,12-14H2,1H3,(H,20,22)
InChIKeyMSXOVJMWPZSBNA-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 30219122
N-(3-cyclohexyloxypropyl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 30248301
2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219885
N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217888
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224429
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30253559
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30207045

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide (CID 30219781) is 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide is CS(=O)(=O)N(CC(=O)NCCCOC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is MSXOVJMWPZSBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4S/c1-26(23,24)21(16-10-8-15(19)9-11-16)14-18(22)20-12-5-13-25-17-6-3-2-4-7-17/h8-11,17H,2-7,12-14H2,1H3,(H,20,22).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 402.94 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 30219781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).