1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide

C22H24N2O4S — CID 39677964

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4oc(C)nc4c3)CCCC2)c1
InChIInChI=1S/C22H24N2O4S/c1-14-6-7-15(2)20(12-14)29(26,27)22(10-4-5-11-22)21(25)24-17-8-9-19-18(13-17)23-16(3)28-19/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,25)
InChIKeyUIFDGFWIIRKYJV-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.48
Rot. Bonds4

About 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 39677964) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
PubChem CID39677964
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4oc(C)nc4c3)CCCC2)c1
InChIInChI=1S/C22H24N2O4S/c1-14-6-7-15(2)20(12-14)29(26,27)22(10-4-5-11-22)21(25)24-17-8-9-19-18(13-17)23-16(3)28-19/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,25)
InChIKeyUIFDGFWIIRKYJV-UHFFFAOYSA-N
XLogP4.48
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565396
ethyl 4-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]benzoate
CID 46665840
N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide
CID 39186294
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24673698
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
N-[4-(4-chloroanilino)-4-oxobutyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 55990316
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 37040333

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide (CID 39677964) is 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4oc(C)nc4c3)CCCC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is UIFDGFWIIRKYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14-6-7-15(2)20(12-14)29(26,27)22(10-4-5-11-22)21(25)24-17-8-9-19-18(13-17)23-16(3)28-19/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,25).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 39677964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).