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

C24H23ClN4O2S — CID 67360653

IUPACN-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1
InChIInChI=1S/C24H23ClN4O2S/c1-26-14-22(30)27-13-17-4-2-16(3-5-17)10-11-29-15-28-20-12-21(32-23(20)24(29)31)18-6-8-19(25)9-7-18/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,27,30)
InChIKeyXDZWQLOQKFQOGN-UHFFFAOYSA-N
MW466.99 g/mol
LogP3.86
Rot. Bonds8

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

N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide (PubChem CID 67360653) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
PubChem CID67360653
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC NameN-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(CCn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1
InChIInChI=1S/C24H23ClN4O2S/c1-26-14-22(30)27-13-17-4-2-16(3-5-17)10-11-29-15-28-20-12-21(32-23(20)24(29)31)18-6-8-19(25)9-7-18/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,27,30)
InChIKeyXDZWQLOQKFQOGN-UHFFFAOYSA-N
XLogP3.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-2-(methylamino)acetamide?
The IUPAC name of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide (CID 67360653) is N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1ccc(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]-2-(methylamino)acetamide?
The InChIKey is XDZWQLOQKFQOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-26-14-22(30)27-13-17-4-2-16(3-5-17)10-11-29-15-28-20-12-21(32-23(20)24(29)31)18-6-8-19(25)9-7-18/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,27,30).
What are the key properties of N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide?
N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide has a molecular weight of 466.99 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-(methylamino)acetamide is sourced from PubChem (CID 67360653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).