2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide

C17H15ClN4O3S — CID 8626032

IUPAC2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O
InChIInChI=1S/C17H15ClN4O3S/c1-19-14(23)7-20-15(24)8-22-9-21-12-6-13(26-16(12)17(22)25)10-2-4-11(18)5-3-10/h2-6,9H,7-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyVKIQREKEXHOLQX-UHFFFAOYSA-N
MW390.85 g/mol
LogP1.64
Rot. Bonds5

About 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide

2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide (PubChem CID 8626032) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
PubChem CID8626032
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O
InChIInChI=1S/C17H15ClN4O3S/c1-19-14(23)7-20-15(24)8-22-9-21-12-6-13(26-16(12)17(22)25)10-2-4-11(18)5-3-10/h2-6,9H,7-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyVKIQREKEXHOLQX-UHFFFAOYSA-N
XLogP1.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
CID 7803603
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide
CID 8626062
methyl 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 17403488
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8626048
N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
CID 67360653
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7803606
2-[[2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8573262
N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 51582557
6-(4-chlorophenyl)-3-[2-[4-(methylaminomethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 59239866
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629730
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55409251
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 25479631

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide (CID 8626032) is 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide is CNC(=O)CNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O.
What is the InChIKey of 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide?
The InChIKey is VKIQREKEXHOLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-19-14(23)7-20-15(24)8-22-9-21-12-6-13(26-16(12)17(22)25)10-2-4-11(18)5-3-10/h2-6,9H,7-8H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide?
2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide has a molecular weight of 390.85 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 8626032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).