N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

C22H28N2O6S — CID 30221074

IUPACN-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-28-20-13-10-17(14-21(20)29-2)24(31(3,26)27)15-22(25)23-16-8-11-19(12-9-16)30-18-6-4-5-7-18/h8-14,18H,4-7,15H2,1-3H3,(H,23,25)
InChIKeyCMLRIIDLIDUPLW-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.43
Rot. Bonds9

About N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30221074) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30221074
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-28-20-13-10-17(14-21(20)29-2)24(31(3,26)27)15-22(25)23-16-8-11-19(12-9-16)30-18-6-4-5-7-18/h8-14,18H,4-7,15H2,1-3H3,(H,23,25)
InChIKeyCMLRIIDLIDUPLW-UHFFFAOYSA-N
XLogP3.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
CID 30223452
N-(4-cyclopentyloxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220186
N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217842
N-(4-cyclopentyloxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30221490
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2282293
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99971095

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (CID 30221074) is N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is CMLRIIDLIDUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-20-13-10-17(14-21(20)29-2)24(31(3,26)27)15-22(25)23-16-8-11-19(12-9-16)30-18-6-4-5-7-18/h8-14,18H,4-7,15H2,1-3H3,(H,23,25).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30221074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).