N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

C23H28N2O4S — CID 37419686

IUPACN-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1C
InChIInChI=1S/C23H28N2O4S/c1-15-7-8-16(2)21(13-15)30(28,29)23(11-5-6-12-23)22(27)25-19-9-10-20(17(3)14-19)24-18(4)26/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyNCPDBRLFFBSWEL-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.30
Rot. Bonds5

About N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 37419686) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID37419686
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1C
InChIInChI=1S/C23H28N2O4S/c1-15-7-8-16(2)21(13-15)30(28,29)23(11-5-6-12-23)22(27)25-19-9-10-20(17(3)14-19)24-18(4)26/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyNCPDBRLFFBSWEL-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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide (CID 37419686) is N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is NCPDBRLFFBSWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-15-7-8-16(2)21(13-15)30(28,29)23(11-5-6-12-23)22(27)25-19-9-10-20(17(3)14-19)24-18(4)26/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide?
N-(4-acetamido-3-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-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 37419686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).