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

C21H17N5OS — CID 1147376

IUPACN-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H17N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,27)
InChIKeyDBDZIIKDPYLKRZ-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.06
Rot. Bonds6

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

N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1147376) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1147376
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC NameN-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H17N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,27)
InChIKeyDBDZIIKDPYLKRZ-UHFFFAOYSA-N
XLogP4.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1147376) is N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DBDZIIKDPYLKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,27).
What are the key properties of N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 387.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1147376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).