(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide

C19H20N4O2S — CID 7866717

IUPAC(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@@H](Sc1nncn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14(26-19-22-20-13-23(19)2)18(24)21-16-8-10-17(11-9-16)25-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyOPSQOJAKXCLKGW-CQSZACIVSA-N
MW368.46 g/mol
LogP3.51
Rot. Bonds7

About (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide

(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 7866717) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID7866717
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@@H](Sc1nncn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14(26-19-22-20-13-23(19)2)18(24)21-16-8-10-17(11-9-16)25-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyOPSQOJAKXCLKGW-CQSZACIVSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide with MolForge

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Related Compounds

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(2R)-N-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
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2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
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2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46661412
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide (CID 7866717) is (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide is C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is OPSQOJAKXCLKGW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14(26-19-22-20-13-23(19)2)18(24)21-16-8-10-17(11-9-16)25-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide?
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 368.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 7866717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).