3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide

C25H34N2O4S — CID 26102322

IUPAC3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C25H34N2O4S/c1-16(2)20-11-8-12-21(17(3)4)24(20)26-25(28)18-13-14-22(31-5)23(15-18)32(29,30)27-19-9-6-7-10-19/h8,11-17,19,27H,6-7,9-10H2,1-5H3,(H,26,28)
InChIKeyPQLNQDCWBTUNPE-UHFFFAOYSA-N
MW458.62 g/mol
LogP5.42
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide

3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 26102322) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
PubChem CID26102322
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC Name3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C25H34N2O4S/c1-16(2)20-11-8-12-21(17(3)4)24(20)26-25(28)18-13-14-22(31-5)23(15-18)32(29,30)27-19-9-6-7-10-19/h8,11-17,19,27H,6-7,9-10H2,1-5H3,(H,26,28)
InChIKeyPQLNQDCWBTUNPE-UHFFFAOYSA-N
XLogP5.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.62
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
N-(3-chloro-2,6-diethylphenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26198372
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-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27739768
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide (CID 26102322) is 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is PQLNQDCWBTUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-16(2)20-11-8-12-21(17(3)4)24(20)26-25(28)18-13-14-22(31-5)23(15-18)32(29,30)27-19-9-6-7-10-19/h8,11-17,19,27H,6-7,9-10H2,1-5H3,(H,26,28).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide?
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 458.62 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 26102322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).