N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

C21H26N4O3S2 — CID 37330931

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-c2csc3ncn(CC(=O)NCC(C)(C)N4CCOCC4)c(=O)c23)s1
InChIInChI=1S/C21H26N4O3S2/c1-14-4-5-16(30-14)15-11-29-19-18(15)20(27)24(13-23-19)10-17(26)22-12-21(2,3)25-6-8-28-9-7-25/h4-5,11,13H,6-10,12H2,1-3H3,(H,22,26)
InChIKeyQKWWLSHROSMUFZ-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.72
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 37330931) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID37330931
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCc1ccc(-c2csc3ncn(CC(=O)NCC(C)(C)N4CCOCC4)c(=O)c23)s1
InChIInChI=1S/C21H26N4O3S2/c1-14-4-5-16(30-14)15-11-29-19-18(15)20(27)24(13-23-19)10-17(26)22-12-21(2,3)25-6-8-28-9-7-25/h4-5,11,13H,6-10,12H2,1-3H3,(H,22,26)
InChIKeyQKWWLSHROSMUFZ-UHFFFAOYSA-N
XLogP2.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8782342
3-(3,3-dimethyl-2-oxobutyl)-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 7646356
N-[(2R)-3-methylbutan-2-yl]-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 8782371
N-(3-methylbutylcarbamoyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 8782369
2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7646414
N-[(4-methoxyphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 17434090
N-(benzylcarbamoyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 17433333
N-(4-bromophenyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 25489074
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7646454
N-methyl-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 8782327
1-[2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24572062
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylpropyl)acetamide
CID 7710257

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (CID 37330931) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is Cc1ccc(-c2csc3ncn(CC(=O)NCC(C)(C)N4CCOCC4)c(=O)c23)s1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is QKWWLSHROSMUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-14-4-5-16(30-14)15-11-29-19-18(15)20(27)24(13-23-19)10-17(26)22-12-21(2,3)25-6-8-28-9-7-25/h4-5,11,13H,6-10,12H2,1-3H3,(H,22,26).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 37330931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).