N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide

C18H24N4O3S — CID 125172890

IUPACN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1nncn1C1CCCC1
InChIInChI=1S/C18H24N4O3S/c1-13(18-21-19-12-22(18)15-5-3-4-6-15)20-17(23)11-14-7-9-16(10-8-14)26(2,24)25/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeySXOCXWPAUXFLQA-CYBMUJFWSA-N
MW376.48 g/mol
LogP2.22
Rot. Bonds6

About N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 125172890) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID125172890
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1nncn1C1CCCC1
InChIInChI=1S/C18H24N4O3S/c1-13(18-21-19-12-22(18)15-5-3-4-6-15)20-17(23)11-14-7-9-16(10-8-14)26(2,24)25/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeySXOCXWPAUXFLQA-CYBMUJFWSA-N
XLogP2.22
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide (CID 125172890) is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide is C[C@@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1nncn1C1CCCC1.
What is the InChIKey of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is SXOCXWPAUXFLQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13(18-21-19-12-22(18)15-5-3-4-6-15)20-17(23)11-14-7-9-16(10-8-14)26(2,24)25/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide?
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 125172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).