(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide

C20H26N4OS — CID 8515312

IUPAC(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1
InChIInChI=1S/C20H26N4OS/c1-3-23(4-2)19(25)17(14-8-6-5-7-9-14)26-20-22-21-18(15-10-11-15)24(20)16-12-13-16/h5-9,15-17H,3-4,10-13H2,1-2H3/t17-/m1/s1
InChIKeyMEUHKPSWWJPOED-QGZVFWFLSA-N
MW370.52 g/mol
LogP4.19
Rot. Bonds8

About (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide

(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide (PubChem CID 8515312) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
PubChem CID8515312
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1
InChIInChI=1S/C20H26N4OS/c1-3-23(4-2)19(25)17(14-8-6-5-7-9-14)26-20-22-21-18(15-10-11-15)24(20)16-12-13-16/h5-9,15-17H,3-4,10-13H2,1-2H3/t17-/m1/s1
InChIKeyMEUHKPSWWJPOED-QGZVFWFLSA-N
XLogP4.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide with MolForge

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Related Compounds

(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
CID 39967204
(2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
CID 39967203
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 41081331
(2S)-N-benzyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7665433
(2S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
CID 30135766
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 8970207
N-(1,3-benzothiazol-2-yl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide
CID 27630692
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9026327
(3R)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 51675581
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 8971160
2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-ethylacetamide
CID 9379178

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide (CID 8515312) is (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1.
What is the InChIKey of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is MEUHKPSWWJPOED-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-3-23(4-2)19(25)17(14-8-6-5-7-9-14)26-20-22-21-18(15-10-11-15)24(20)16-12-13-16/h5-9,15-17H,3-4,10-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 370.52 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 8515312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).