N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

C27H38N2O8S — CID 43898282

IUPACN-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCCCOC2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C27H38N2O8S/c1-33-21-11-13-24(34-2)23(17-21)29(38(31,32)22-12-14-25(35-3)26(18-22)36-4)19-27(30)28-15-8-16-37-20-9-6-5-7-10-20/h11-14,17-18,20H,5-10,15-16,19H2,1-4H3,(H,28,30)
InChIKeyIPASANANEJCDEP-UHFFFAOYSA-N
MW550.67 g/mol
LogP3.77
Rot. Bonds14

About N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (PubChem CID 43898282) has the molecular formula C27H38N2O8S and a molecular weight of 550.67 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
PubChem CID43898282
Molecular FormulaC27H38N2O8S
Molecular Weight550.67 g/mol
Exact Mass550.23
IUPAC NameN-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCCCOC2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C27H38N2O8S/c1-33-21-11-13-24(34-2)23(17-21)29(38(31,32)22-12-14-25(35-3)26(18-22)36-4)19-27(30)28-15-8-16-37-20-9-6-5-7-10-20/h11-14,17-18,20H,5-10,15-16,19H2,1-4H3,(H,28,30)
InChIKeyIPASANANEJCDEP-UHFFFAOYSA-N
XLogP3.77
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.67
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 30244473
N-(3-cyclohexyloxypropyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 30247882
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30204081
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 53279863
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30215340
N-(2-benzylsulfanylethyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126191223
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 43898277
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30215375
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767173
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126172607
N-(3-cyclohexylsulfanylpropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 30227715
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94862246

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (CID 43898282) is N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is COc1ccc(OC)c(N(CC(=O)NCCCOC2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The InChIKey is IPASANANEJCDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O8S/c1-33-21-11-13-24(34-2)23(17-21)29(38(31,32)22-12-14-25(35-3)26(18-22)36-4)19-27(30)28-15-8-16-37-20-9-6-5-7-10-20/h11-14,17-18,20H,5-10,15-16,19H2,1-4H3,(H,28,30).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide has a molecular weight of 550.67 g/mol, XLogP of 3.77, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 43898282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).