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

C15H18N4O3S2 — CID 3928078

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nncn1-c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c1-18(13-7-8-24(21,22)10-13)14(20)9-23-15-17-16-11-19(15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyZGDKGQKSHOLEQK-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.00
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 3928078) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID3928078
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nncn1-c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c1-18(13-7-8-24(21,22)10-13)14(20)9-23-15-17-16-11-19(15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyZGDKGQKSHOLEQK-UHFFFAOYSA-N
XLogP1.00
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 3928078) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C(=O)CSc1nncn1-c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZGDKGQKSHOLEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-18(13-7-8-24(21,22)10-13)14(20)9-23-15-17-16-11-19(15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3928078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).