N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide

C28H32N2O5S — CID 30227923

IUPACN-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC3CCCC3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H32N2O5S/c1-3-34-24-16-18-27(19-17-24)36(32,33)30(23-12-8-21(2)9-13-23)20-28(31)29-22-10-14-26(15-11-22)35-25-6-4-5-7-25/h8-19,25H,3-7,20H2,1-2H3,(H,29,31)
InChIKeyYQWDXMKZLDYLTG-UHFFFAOYSA-N
MW508.64 g/mol
LogP5.55
Rot. Bonds10

About N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide

N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 30227923) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID30227923
Molecular FormulaC28H32N2O5S
Molecular Weight508.64 g/mol
Exact Mass508.20
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC3CCCC3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H32N2O5S/c1-3-34-24-16-18-27(19-17-24)36(32,33)30(23-12-8-21(2)9-13-23)20-28(31)29-22-10-14-26(15-11-22)35-25-6-4-5-7-25/h8-19,25H,3-7,20H2,1-2H3,(H,29,31)
InChIKeyYQWDXMKZLDYLTG-UHFFFAOYSA-N
XLogP5.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 51344975
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide
CID 43895071
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43880322
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881821
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 30171999
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347
N-[4-[(4-cyclopentyloxyphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 100501820

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 30227923) is N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC3CCCC3)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is YQWDXMKZLDYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-3-34-24-16-18-27(19-17-24)36(32,33)30(23-12-8-21(2)9-13-23)20-28(31)29-22-10-14-26(15-11-22)35-25-6-4-5-7-25/h8-19,25H,3-7,20H2,1-2H3,(H,29,31).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 508.64 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 30227923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).