2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide

C21H25ClN2O5S — CID 30223452

IUPAC2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C21H25ClN2O5S/c1-28-20-12-9-16(13-19(20)22)24(30(2,26)27)14-21(25)23-15-7-10-18(11-8-15)29-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,23,25)
InChIKeyHEVVFGGPIYTHCY-UHFFFAOYSA-N
MW452.96 g/mol
LogP4.07
Rot. Bonds8

About 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide (PubChem CID 30223452) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
PubChem CID30223452
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C21H25ClN2O5S/c1-28-20-12-9-16(13-19(20)22)24(30(2,26)27)14-21(25)23-15-7-10-18(11-8-15)29-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,23,25)
InChIKeyHEVVFGGPIYTHCY-UHFFFAOYSA-N
XLogP4.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221074
N-(4-cyclopentyloxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220186
N-(4-cyclopentyloxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30221490
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1354356
N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217842
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
ethyl 2-chloro-5-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 92671753
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1265075
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99942412
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126410627

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide (CID 30223452) is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide?
The InChIKey is HEVVFGGPIYTHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-28-20-12-9-16(13-19(20)22)24(30(2,26)27)14-21(25)23-15-7-10-18(11-8-15)29-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide?
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide has a molecular weight of 452.96 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide is sourced from PubChem (CID 30223452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).