N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

C23H29ClN2O4S — CID 26198372

IUPACN-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C23H29ClN2O4S/c1-4-15-10-12-19(24)18(5-2)22(15)25-23(27)16-11-13-20(30-3)21(14-16)31(28,29)26-17-8-6-7-9-17/h10-14,17,26H,4-9H2,1-3H3,(H,25,27)
InChIKeyTWIPGUOTGGBKEX-UHFFFAOYSA-N
MW465.02 g/mol
LogP4.95
Rot. Bonds8

About N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide

N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (PubChem CID 26198372) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
PubChem CID26198372
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C23H29ClN2O4S/c1-4-15-10-12-19(24)18(5-2)22(15)25-23(27)16-11-13-20(30-3)21(14-16)31(28,29)26-17-8-6-7-9-17/h10-14,17,26H,4-9H2,1-3H3,(H,25,27)
InChIKeyTWIPGUOTGGBKEX-UHFFFAOYSA-N
XLogP4.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
CID 26198599
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide (CID 26198372) is N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
The InChIKey is TWIPGUOTGGBKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-4-15-10-12-19(24)18(5-2)22(15)25-23(27)16-11-13-20(30-3)21(14-16)31(28,29)26-17-8-6-7-9-17/h10-14,17,26H,4-9H2,1-3H3,(H,25,27).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide?
N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide has a molecular weight of 465.02 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 26198372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).