3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

C22H28N2O5S — CID 27548348

IUPAC3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-28-19-10-7-16(8-11-19)13-14-23-22(25)17-9-12-20(29-2)21(15-17)30(26,27)24-18-5-3-4-6-18/h7-12,15,18,24H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyZHDIAAMJKVEJAS-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.90
Rot. Bonds9

About 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 27548348) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID27548348
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-28-19-10-7-16(8-11-19)13-14-23-22(25)17-9-12-20(29-2)21(15-17)30(26,27)24-18-5-3-4-6-18/h7-12,15,18,24H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyZHDIAAMJKVEJAS-UHFFFAOYSA-N
XLogP2.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976665
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide
CID 56558795
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46475905
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 34197541

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 27548348) is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZHDIAAMJKVEJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-28-19-10-7-16(8-11-19)13-14-23-22(25)17-9-12-20(29-2)21(15-17)30(26,27)24-18-5-3-4-6-18/h7-12,15,18,24H,3-6,13-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 432.54 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 27548348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).