2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C19H20N4O4S3 — CID 3566815

IUPAC2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2C2CC2)cc1
InChIInChI=1S/C19H20N4O4S3/c20-30(26,27)14-5-1-12(2-6-14)7-9-21-16(24)11-29-19-22-15-8-10-28-17(15)18(25)23(19)13-3-4-13/h1-2,5-6,8,10,13H,3-4,7,9,11H2,(H,21,24)(H2,20,26,27)
InChIKeyPAXWZYMMTFUOLV-UHFFFAOYSA-N
MW464.59 g/mol
LogP1.89
Rot. Bonds8

About 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 3566815) has the molecular formula C19H20N4O4S3 and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID3566815
Molecular FormulaC19H20N4O4S3
Molecular Weight464.59 g/mol
Exact Mass464.06
IUPAC Name2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2C2CC2)cc1
InChIInChI=1S/C19H20N4O4S3/c20-30(26,27)14-5-1-12(2-6-14)7-9-21-16(24)11-29-19-22-15-8-10-28-17(15)18(25)23(19)13-3-4-13/h1-2,5-6,8,10,13H,3-4,7,9,11H2,(H,21,24)(H2,20,26,27)
InChIKeyPAXWZYMMTFUOLV-UHFFFAOYSA-N
XLogP1.89
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 3566815) is 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2C2CC2)cc1.
What is the InChIKey of 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is PAXWZYMMTFUOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S3/c20-30(26,27)14-5-1-12(2-6-14)7-9-21-16(24)11-29-19-22-15-8-10-28-17(15)18(25)23(19)13-3-4-13/h1-2,5-6,8,10,13H,3-4,7,9,11H2,(H,21,24)(H2,20,26,27).
What are the key properties of 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 464.59 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 3566815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).