N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

C23H28N2O4S — CID 24673698

IUPACN-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1C
InChIInChI=1S/C23H28N2O4S/c1-15-10-11-16(2)21(14-15)30(28,29)23(12-5-6-13-23)22(27)25-20-9-7-8-19(17(20)3)24-18(4)26/h7-11,14H,5-6,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyPGPKOGNNALIGKK-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.30
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 24673698) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID24673698
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1C
InChIInChI=1S/C23H28N2O4S/c1-15-10-11-16(2)21(14-15)30(28,29)23(12-5-6-13-23)22(27)25-20-9-7-8-19(17(20)3)24-18(4)26/h7-11,14H,5-6,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyPGPKOGNNALIGKK-UHFFFAOYSA-N
XLogP4.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylbenzoate
CID 24684190
N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 37419686
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 51114730
N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 46807966
N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide
CID 39186294
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
N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide
CID 78828621
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 55961278
ethyl 4-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]benzoate
CID 46665840

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (CID 24673698) is N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is PGPKOGNNALIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-15-10-11-16(2)21(14-15)30(28,29)23(12-5-6-13-23)22(27)25-20-9-7-8-19(17(20)3)24-18(4)26/h7-11,14H,5-6,12-13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 24673698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).