N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

C21H24ClNO3S — CID 24565332

IUPACN-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c(Cl)c1
InChIInChI=1S/C21H24ClNO3S/c1-14-7-9-18(17(22)12-14)23-20(24)21(10-4-5-11-21)27(25,26)19-13-15(2)6-8-16(19)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24)
InChIKeyRRWQYLMXEXFAKR-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.99
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 24565332) has the molecular formula C21H24ClNO3S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID24565332
Molecular FormulaC21H24ClNO3S
Molecular Weight405.95 g/mol
Exact Mass405.12
IUPAC NameN-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c(Cl)c1
InChIInChI=1S/C21H24ClNO3S/c1-14-7-9-18(17(22)12-14)23-20(24)21(10-4-5-11-21)27(25,26)19-13-15(2)6-8-16(19)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24)
InChIKeyRRWQYLMXEXFAKR-UHFFFAOYSA-N
XLogP4.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 46807966
N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24673698
N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 37419686
1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 51114730
methyl 3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylbenzoate
CID 24684190
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565396
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
methyl 5-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]thiophene-2-carboxylate
CID 24567718
N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide
CID 39186294
N-[4-(4-chloroanilino)-4-oxobutyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 55990316
N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide
CID 78828621

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (CID 24565332) is N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is RRWQYLMXEXFAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3S/c1-14-7-9-18(17(22)12-14)23-20(24)21(10-4-5-11-21)27(25,26)19-13-15(2)6-8-16(19)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 405.95 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 24565332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).