N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

C22H24N4OS — CID 24602411

IUPACN-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c(C2CCCC2)n1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4OS/c27-20(16-28-22-23-21(24-25-22)18-11-7-8-12-18)26(19-13-5-2-6-14-19)15-17-9-3-1-4-10-17/h1-6,9-10,13-14,18H,7-8,11-12,15-16H2,(H,23,24,25)
InChIKeyCMEPFJYKYREGDS-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.79
Rot. Bonds7

About N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 24602411) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID24602411
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c(C2CCCC2)n1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4OS/c27-20(16-28-22-23-21(24-25-22)18-11-7-8-12-18)26(19-13-5-2-6-14-19)15-17-9-3-1-4-10-17/h1-6,9-10,13-14,18H,7-8,11-12,15-16H2,(H,23,24,25)
InChIKeyCMEPFJYKYREGDS-UHFFFAOYSA-N
XLogP4.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide
CID 51133968
2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 24602409
N-cyclopropyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 18144168
5-cyclopentyl-3-[(4-phenylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 16604586
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 18158318
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide
CID 18141065
N-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-N-methylaniline
CID 71970020
N-benzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3169632
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 8010924
N-cyclooctyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18141239
2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 18141295
2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide
CID 858973

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (CID 24602411) is N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1n[nH]c(C2CCCC2)n1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is CMEPFJYKYREGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-20(16-28-22-23-21(24-25-22)18-11-7-8-12-18)26(19-13-5-2-6-14-19)15-17-9-3-1-4-10-17/h1-6,9-10,13-14,18H,7-8,11-12,15-16H2,(H,23,24,25).
What are the key properties of N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 392.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 24602411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).