(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C22H20N4OS2 — CID 41193898

IUPAC(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N4OS2/c1-25(2)21(27)19(16-10-5-3-6-11-16)29-22-24-23-20(18-14-9-15-28-18)26(22)17-12-7-4-8-13-17/h3-15,19H,1-2H3/t19-/m1/s1
InChIKeyJLJHYVUTJAQGAM-LJQANCHMSA-N
MW420.56 g/mol
LogP4.92
Rot. Bonds6

About (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 41193898) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID41193898
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC Name(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N4OS2/c1-25(2)21(27)19(16-10-5-3-6-11-16)29-22-24-23-20(18-14-9-15-28-18)26(22)17-12-7-4-8-13-17/h3-15,19H,1-2H3/t19-/m1/s1
InChIKeyJLJHYVUTJAQGAM-LJQANCHMSA-N
XLogP4.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

(2R)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40659791
2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 856918
N,N-dimethyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 17429139
propan-2-yl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 7846554
(2R)-N-cyclopentyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2632233
N-(2-methylphenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 112780024
N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4817689
methyl 3-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate
CID 2348696
(2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41156106
(2R)-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41169915
(2R)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41082201
(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 7715700

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 41193898) is (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C)C(=O)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is JLJHYVUTJAQGAM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-25(2)21(27)19(16-10-5-3-6-11-16)29-22-24-23-20(18-14-9-15-28-18)26(22)17-12-7-4-8-13-17/h3-15,19H,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 41193898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).