1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide

C19H22N2O3S — CID 51114730

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccncc3)CCCC2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-5-6-15(2)17(13-14)25(23,24)19(9-3-4-10-19)18(22)21-16-7-11-20-12-8-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,21,22)
InChIKeyPHKAEBGAULRUIJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide (PubChem CID 51114730) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
PubChem CID51114730
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccncc3)CCCC2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-5-6-15(2)17(13-14)25(23,24)19(9-3-4-10-19)18(22)21-16-7-11-20-12-8-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,21,22)
InChIKeyPHKAEBGAULRUIJ-UHFFFAOYSA-N
XLogP3.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide
CID 39186294
N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 37419686
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565396
ethyl 4-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]benzoate
CID 46665840
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 39677964
N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24673698
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-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 46807966
methyl 3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylbenzoate
CID 24684190

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide (CID 51114730) is 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccncc3)CCCC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
The InChIKey is PHKAEBGAULRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-5-6-15(2)17(13-14)25(23,24)19(9-3-4-10-19)18(22)21-16-7-11-20-12-8-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 51114730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).