N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H26N4O3S2 — CID 17451269

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C15H26N4O3S2/c1-4-5-13-16-15(18-17-13)23-9-14(20)19(8-11(2)3)12-6-7-24(21,22)10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyNTQVHDBRIFTYSB-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.52
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 17451269) has the molecular formula C15H26N4O3S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID17451269
Molecular FormulaC15H26N4O3S2
Molecular Weight374.53 g/mol
Exact Mass374.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C15H26N4O3S2/c1-4-5-13-16-15(18-17-13)23-9-14(20)19(8-11(2)3)12-6-7-24(21,22)10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyNTQVHDBRIFTYSB-UHFFFAOYSA-N
XLogP1.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 17451269) is N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCc1nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)n[nH]1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is NTQVHDBRIFTYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S2/c1-4-5-13-16-15(18-17-13)23-9-14(20)19(8-11(2)3)12-6-7-24(21,22)10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 374.53 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 17451269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).