(2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C20H16ClN5O2S — CID 41351328

IUPAC(2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](Sc2nc3ncccn3n2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClN5O2S/c1-28-16-9-8-14(12-15(16)21)23-18(27)17(13-6-3-2-4-7-13)29-20-24-19-22-10-5-11-26(19)25-20/h2-12,17H,1H3,(H,23,27)/t17-/m0/s1
InChIKeySRHRWVFYXLVWEF-KRWDZBQOSA-N
MW425.90 g/mol
LogP4.26
Rot. Bonds6

About (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

(2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 41351328) has the molecular formula C20H16ClN5O2S and a molecular weight of 425.90 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID41351328
Molecular FormulaC20H16ClN5O2S
Molecular Weight425.90 g/mol
Exact Mass425.07
IUPAC Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](Sc2nc3ncccn3n2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClN5O2S/c1-28-16-9-8-14(12-15(16)21)23-18(27)17(13-6-3-2-4-7-13)29-20-24-19-22-10-5-11-26(19)25-20/h2-12,17H,1H3,(H,23,27)/t17-/m0/s1
InChIKeySRHRWVFYXLVWEF-KRWDZBQOSA-N
XLogP4.26
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2630126
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2434025
N-(4-chloro-2-methoxy-5-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42928939
2-phenyl-1-pyrrolidin-1-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethanone
CID 24578511
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 42963704
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
N-[3-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903796
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 41081331
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 2119692
N-(4-acetylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 46675895
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23098239

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 41351328) is (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is COc1ccc(NC(=O)[C@@H](Sc2nc3ncccn3n2)c2ccccc2)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is SRHRWVFYXLVWEF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16ClN5O2S/c1-28-16-9-8-14(12-15(16)21)23-18(27)17(13-6-3-2-4-7-13)29-20-24-19-22-10-5-11-26(19)25-20/h2-12,17H,1H3,(H,23,27)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
(2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 425.90 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 41351328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).