N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide

C21H26N2O5S — CID 31873271

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC1CCCC1
InChIInChI=1S/C21H26N2O5S/c1-14-8-9-15(12-18(14)23-29(3,25)26)21(24)22-16-10-11-19(27-2)20(13-16)28-17-6-4-5-7-17/h8-13,17,23H,4-7H2,1-3H3,(H,22,24)
InChIKeyKTPXDKAXQVIZGD-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.95
Rot. Bonds7

About N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 31873271) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID31873271
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC1CCCC1
InChIInChI=1S/C21H26N2O5S/c1-14-8-9-15(12-18(14)23-29(3,25)26)21(24)22-16-10-11-19(27-2)20(13-16)28-17-6-4-5-7-17/h8-13,17,23H,4-7H2,1-3H3,(H,22,24)
InChIKeyKTPXDKAXQVIZGD-UHFFFAOYSA-N
XLogP3.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55584033
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
CID 31873206
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
CID 22406117
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 31873271) is N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is KTPXDKAXQVIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-14-8-9-15(12-18(14)23-29(3,25)26)21(24)22-16-10-11-19(27-2)20(13-16)28-17-6-4-5-7-17/h8-13,17,23H,4-7H2,1-3H3,(H,22,24).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 31873271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).