2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide

C24H31ClN2O4S — CID 30207045

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NCCCOC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H31ClN2O4S/c1-19-13-14-20(25)17-23(19)27(32(29,30)22-11-6-3-7-12-22)18-24(28)26-15-8-16-31-21-9-4-2-5-10-21/h3,6-7,11-14,17,21H,2,4-5,8-10,15-16,18H2,1H3,(H,26,28)
InChIKeyCWCCYUTYDYJQEK-UHFFFAOYSA-N
MW479.04 g/mol
LogP4.70
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 30207045) has the molecular formula C24H31ClN2O4S and a molecular weight of 479.04 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID30207045
Molecular FormulaC24H31ClN2O4S
Molecular Weight479.04 g/mol
Exact Mass478.17
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NCCCOC1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H31ClN2O4S/c1-19-13-14-20(25)17-23(19)27(32(29,30)22-11-6-3-7-12-22)18-24(28)26-15-8-16-31-21-9-4-2-5-10-21/h3,6-7,11-14,17,21H,2,4-5,8-10,15-16,18H2,1H3,(H,26,28)
InChIKeyCWCCYUTYDYJQEK-UHFFFAOYSA-N
XLogP4.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.04
LogP ≤ 54.70
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-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30207049
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30253559
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30213587
2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
CID 1098058
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide (CID 30207045) is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide is Cc1ccc(Cl)cc1N(CC(=O)NCCCOC1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is CWCCYUTYDYJQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O4S/c1-19-13-14-20(25)17-23(19)27(32(29,30)22-11-6-3-7-12-22)18-24(28)26-15-8-16-31-21-9-4-2-5-10-21/h3,6-7,11-14,17,21H,2,4-5,8-10,15-16,18H2,1H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 479.04 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 30207045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).