N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide

C23H30N2O5S — CID 38859591

IUPACN-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(OC3CCCC3)c2)c1
InChIInChI=1S/C23H30N2O5S/c1-4-25(5-2)31(27,28)20-13-14-22(29-3)21(16-20)23(26)24-17-9-8-12-19(15-17)30-18-10-6-7-11-18/h8-9,12-16,18H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyWPKBQSZWQUXOBE-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.30
Rot. Bonds9

About N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide

N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide (PubChem CID 38859591) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
PubChem CID38859591
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(OC3CCCC3)c2)c1
InChIInChI=1S/C23H30N2O5S/c1-4-25(5-2)31(27,28)20-13-14-22(29-3)21(16-20)23(26)24-17-9-8-12-19(15-17)30-18-10-6-7-11-18/h8-9,12-16,18H,4-7,10-11H2,1-3H3,(H,24,26)
InChIKeyWPKBQSZWQUXOBE-UHFFFAOYSA-N
XLogP4.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
5-(diethylsulfamoyl)-2-methoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556219
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55603366
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide (CID 38859591) is N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(OC3CCCC3)c2)c1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
The InChIKey is WPKBQSZWQUXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-4-25(5-2)31(27,28)20-13-14-22(29-3)21(16-20)23(26)24-17-9-8-12-19(15-17)30-18-10-6-7-11-18/h8-9,12-16,18H,4-7,10-11H2,1-3H3,(H,24,26).
What are the key properties of N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide has a molecular weight of 446.57 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 38859591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).