N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide

C21H24N4O3S2 — CID 3261608

IUPACN-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
SMILESCCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S2/c1-3-11-24(12-4-2)17(26)14-30-21-22-16-10-13-29-18(16)20(28)25(21)23-19(27)15-8-6-5-7-9-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,27)
InChIKeyBSRPVHOXPDDXNU-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.58
Rot. Bonds9

About N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide

N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide (PubChem CID 3261608) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
PubChem CID3261608
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
SMILESCCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S2/c1-3-11-24(12-4-2)17(26)14-30-21-22-16-10-13-29-18(16)20(28)25(21)23-19(27)15-8-6-5-7-9-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,27)
InChIKeyBSRPVHOXPDDXNU-UHFFFAOYSA-N
XLogP3.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide?
The IUPAC name of N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide (CID 3261608) is N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide is CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide?
The InChIKey is BSRPVHOXPDDXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-3-11-24(12-4-2)17(26)14-30-21-22-16-10-13-29-18(16)20(28)25(21)23-19(27)15-8-6-5-7-9-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide?
N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 3261608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).