2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide

C25H34N2O7S — CID 146580189

IUPAC2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H34N2O7S/c1-4-26(15-16-28)25(29)18-27(23-17-21(32-2)11-14-24(23)33-3)35(30,31)22-12-9-20(10-13-22)34-19-7-5-6-8-19/h9-14,17,19,28H,4-8,15-16,18H2,1-3H3
InChIKeyHLVXYICWTVZJGO-UHFFFAOYSA-N
MW506.62 g/mol
LogP3.06
Rot. Bonds12

About 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide

2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 146580189) has the molecular formula C25H34N2O7S and a molecular weight of 506.62 g/mol. Its IUPAC name is 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID146580189
Molecular FormulaC25H34N2O7S
Molecular Weight506.62 g/mol
Exact Mass506.21
IUPAC Name2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H34N2O7S/c1-4-26(15-16-28)25(29)18-27(23-17-21(32-2)11-14-24(23)33-3)35(30,31)22-12-9-20(10-13-22)34-19-7-5-6-8-19/h9-14,17,19,28H,4-8,15-16,18H2,1-3H3
InChIKeyHLVXYICWTVZJGO-UHFFFAOYSA-N
XLogP3.06
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.62
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43894457
2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid
CID 100515066
N-cyclohexyl-2-[[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132639438
N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1139820
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 125053840
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-benzylamino]-N-cyclopentyl-3-phenylpropanamide
CID 133196543
N-(3-cyclohexyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 43898282
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956
2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 50895197
2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132640408

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 146580189) is 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is HLVXYICWTVZJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O7S/c1-4-26(15-16-28)25(29)18-27(23-17-21(32-2)11-14-24(23)33-3)35(30,31)22-12-9-20(10-13-22)34-19-7-5-6-8-19/h9-14,17,19,28H,4-8,15-16,18H2,1-3H3.
What are the key properties of 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 506.62 g/mol, XLogP of 3.06, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 146580189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).