N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide

C22H26ClNO3S — CID 55465609

IUPACN-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C22H26ClNO3S/c1-16-10-11-17(2)20(14-16)28(26,27)22(12-6-7-13-22)21(25)24(3)15-18-8-4-5-9-19(18)23/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3
InChIKeyBYBNPTZFHTWZFN-UHFFFAOYSA-N
MW419.97 g/mol
LogP4.70
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide

N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide (PubChem CID 55465609) has the molecular formula C22H26ClNO3S and a molecular weight of 419.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
PubChem CID55465609
Molecular FormulaC22H26ClNO3S
Molecular Weight419.97 g/mol
Exact Mass419.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3ccccc3Cl)CCCC2)c1
InChIInChI=1S/C22H26ClNO3S/c1-16-10-11-17(2)20(14-16)28(26,27)22(12-6-7-13-22)21(25)24(3)15-18-8-4-5-9-19(18)23/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3
InChIKeyBYBNPTZFHTWZFN-UHFFFAOYSA-N
XLogP4.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.97
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
CID 55465856
1-carbamothioyl-N-[(2-chlorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80590057
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
CID 56807459
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
N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 46807966
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 55473752
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 46670644
1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 51114730
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
1-(2,5-dimethylphenyl)sulfonyl-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 55962108

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide (CID 55465609) is N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3ccccc3Cl)CCCC2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
The InChIKey is BYBNPTZFHTWZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO3S/c1-16-10-11-17(2)20(14-16)28(26,27)22(12-6-7-13-22)21(25)24(3)15-18-8-4-5-9-19(18)23/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide has a molecular weight of 419.97 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)sulfonyl-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 55465609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).