N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide

C24H22ClN3O2S — CID 11949664

IUPACN-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1
InChIInChI=1S/C24H22ClN3O2S/c1-16(29)27(2)14-18-5-3-17(4-6-18)11-12-28-15-26-21-13-22(31-23(21)24(28)30)19-7-9-20(25)10-8-19/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyZVNMTYOVHZTMPK-UHFFFAOYSA-N
MW451.98 g/mol
LogP5.00
Rot. Bonds6

About N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide

N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide (PubChem CID 11949664) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide
PubChem CID11949664
Molecular FormulaC24H22ClN3O2S
Molecular Weight451.98 g/mol
Exact Mass451.11
IUPAC NameN-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1
InChIInChI=1S/C24H22ClN3O2S/c1-16(29)27(2)14-18-5-3-17(4-6-18)11-12-28-15-26-21-13-22(31-23(21)24(28)30)19-7-9-20(25)10-8-19/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyZVNMTYOVHZTMPK-UHFFFAOYSA-N
XLogP5.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide 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-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide (CID 11949664) is N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1.
What is the InChIKey of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide?
The InChIKey is ZVNMTYOVHZTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c1-16(29)27(2)14-18-5-3-17(4-6-18)11-12-28-15-26-21-13-22(31-23(21)24(28)30)19-7-9-20(25)10-8-19/h3-10,13,15H,11-12,14H2,1-2H3.
What are the key properties of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide?
N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide has a molecular weight of 451.98 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 11949664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).