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

C19H20N6O4S2 — CID 39939286

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N6O4S2/c26-17(13-30-19-22-18(23-24-19)14-4-6-20-7-5-14)21-15-2-1-3-16(12-15)31(27,28)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2,(H,21,26)(H,22,23,24)
InChIKeyWYWWGKJAZAAVFN-UHFFFAOYSA-N
MW460.54 g/mol
LogP1.62
Rot. Bonds7

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

N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 39939286) has the molecular formula C19H20N6O4S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID39939286
Molecular FormulaC19H20N6O4S2
Molecular Weight460.54 g/mol
Exact Mass460.10
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N6O4S2/c26-17(13-30-19-22-18(23-24-19)14-4-6-20-7-5-14)21-15-2-1-3-16(12-15)31(27,28)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2,(H,21,26)(H,22,23,24)
InChIKeyWYWWGKJAZAAVFN-UHFFFAOYSA-N
XLogP1.62
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 39939286) is N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is WYWWGKJAZAAVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S2/c26-17(13-30-19-22-18(23-24-19)14-4-6-20-7-5-14)21-15-2-1-3-16(12-15)31(27,28)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2,(H,21,26)(H,22,23,24).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 460.54 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 39939286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).