N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C28H32N2O6S — CID 30215347

IUPACN-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C28H32N2O6S/c1-20-8-15-25(16-9-20)37(32,33)30(26-18-24(34-2)14-17-27(26)35-3)19-28(31)29-21-10-12-23(13-11-21)36-22-6-4-5-7-22/h8-18,22H,4-7,19H2,1-3H3,(H,29,31)
InChIKeyHAXMWFAEWRYOJU-UHFFFAOYSA-N
MW524.64 g/mol
LogP5.17
Rot. Bonds10

About N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30215347) has the molecular formula C28H32N2O6S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30215347
Molecular FormulaC28H32N2O6S
Molecular Weight524.64 g/mol
Exact Mass524.20
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C28H32N2O6S/c1-20-8-15-25(16-9-20)37(32,33)30(26-18-24(34-2)14-17-27(26)35-3)19-28(31)29-21-10-12-23(13-11-21)36-22-6-4-5-7-22/h8-18,22H,4-7,19H2,1-3H3,(H,29,31)
InChIKeyHAXMWFAEWRYOJU-UHFFFAOYSA-N
XLogP5.17
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.64
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 30227923
2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
CID 90051595
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881724
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
methyl 4-[[2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 2206047
N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221074
N-(2-bicyclo[2.2.1]heptanyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2899040
2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881526
2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 146580189
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30215347) is N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is HAXMWFAEWRYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6S/c1-20-8-15-25(16-9-20)37(32,33)30(26-18-24(34-2)14-17-27(26)35-3)19-28(31)29-21-10-12-23(13-11-21)36-22-6-4-5-7-22/h8-18,22H,4-7,19H2,1-3H3,(H,29,31).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 524.64 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30215347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).