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

C22H26ClNO5S — CID 46807966

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1Cl
InChIInChI=1S/C22H26ClNO5S/c1-14-7-8-15(2)20(11-14)30(26,27)22(9-5-6-10-22)21(25)24-17-12-16(23)18(28-3)13-19(17)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,24,25)
InChIKeyBILFKAAZXAHWRE-UHFFFAOYSA-N
MW451.97 g/mol
LogP4.70
Rot. Bonds6

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

N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 46807966) has the molecular formula C22H26ClNO5S and a molecular weight of 451.97 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID46807966
Molecular FormulaC22H26ClNO5S
Molecular Weight451.97 g/mol
Exact Mass451.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1Cl
InChIInChI=1S/C22H26ClNO5S/c1-14-7-8-15(2)20(11-14)30(26,27)22(9-5-6-10-22)21(25)24-17-12-16(23)18(28-3)13-19(17)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,24,25)
InChIKeyBILFKAAZXAHWRE-UHFFFAOYSA-N
XLogP4.70
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.97
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
methyl 3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylbenzoate
CID 24684190
1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 51114730
N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 37419686
methyl 5-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]thiophene-2-carboxylate
CID 24567718
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide
CID 55464674
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 55977941
1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981368
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
CID 55527426
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 39677964

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (CID 46807966) is N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is COc1cc(OC)c(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is BILFKAAZXAHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO5S/c1-14-7-8-15(2)20(11-14)30(26,27)22(9-5-6-10-22)21(25)24-17-12-16(23)18(28-3)13-19(17)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,24,25).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 451.97 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 46807966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).