N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H23N3O4S2 — CID 135449367

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(CC)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H23N3O4S2/c1-3-5-11-8-13(19)17-15(16-11)23-9-14(20)18(4-2)12-6-7-24(21,22)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,17,19)
InChIKeyIAEZWTYVXOREEX-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.85
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135449367) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135449367
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(CC)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H23N3O4S2/c1-3-5-11-8-13(19)17-15(16-11)23-9-14(20)18(4-2)12-6-7-24(21,22)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,17,19)
InChIKeyIAEZWTYVXOREEX-UHFFFAOYSA-N
XLogP0.85
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.85
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-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135449367) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(CC)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is IAEZWTYVXOREEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-3-5-11-8-13(19)17-15(16-11)23-9-14(20)18(4-2)12-6-7-24(21,22)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 0.85, 7 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-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135449367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).