2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C16H15N5O3S2 — CID 25251917

IUPAC2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(Sc2ncn[nH]2)c2ccccc2)cc1
InChIInChI=1S/C16H15N5O3S2/c17-26(23,24)13-8-6-12(7-9-13)20-15(22)14(11-4-2-1-3-5-11)25-16-18-10-19-21-16/h1-10,14H,(H,20,22)(H2,17,23,24)(H,18,19,21)
InChIKeyMZTAYVRZQNHBRY-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.92
Rot. Bonds6

About 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 25251917) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID25251917
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(Sc2ncn[nH]2)c2ccccc2)cc1
InChIInChI=1S/C16H15N5O3S2/c17-26(23,24)13-8-6-12(7-9-13)20-15(22)14(11-4-2-1-3-5-11)25-16-18-10-19-21-16/h1-10,14H,(H,20,22)(H2,17,23,24)(H,18,19,21)
InChIKeyMZTAYVRZQNHBRY-UHFFFAOYSA-N
XLogP1.92
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide with MolForge

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 41023427
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 135905937
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 136822574
(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 51982672
(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785038
ethyl (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
CID 720627
4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
CID 18907255
3-chloro-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
CID 18904951
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-[(Z)-3-oxo-3-[4-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylanilino]-1-phenylprop-1-en-2-yl]benzamide
CID 21383697
(2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 7908438

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 25251917) is 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)C(Sc2ncn[nH]2)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is MZTAYVRZQNHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c17-26(23,24)13-8-6-12(7-9-13)20-15(22)14(11-4-2-1-3-5-11)25-16-18-10-19-21-16/h1-10,14H,(H,20,22)(H2,17,23,24)(H,18,19,21).
What are the key properties of 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 25251917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).