N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C19H21N3O4S — CID 47017399

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(CN(C)C(=O)CCn2cnc3sccc3c2=O)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-21(11-13-4-5-15(25-2)16(10-13)26-3)17(23)6-8-22-12-20-18-14(19(22)24)7-9-27-18/h4-5,7,9-10,12H,6,8,11H2,1-3H3
InChIKeyVQYQEGTXFJBQHC-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.52
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 47017399) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID47017399
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(CN(C)C(=O)CCn2cnc3sccc3c2=O)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-21(11-13-4-5-15(25-2)16(10-13)26-3)17(23)6-8-22-12-20-18-14(19(22)24)7-9-27-18/h4-5,7,9-10,12H,6,8,11H2,1-3H3
InChIKeyVQYQEGTXFJBQHC-UHFFFAOYSA-N
XLogP2.52
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide 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

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 30888512
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18195420
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 46685244
N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272719
methyl 3-(3,4-dimethoxyphenyl)-3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoate
CID 46690773
N-(1-aminopropan-2-yl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119584978
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 29467754
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38400635
N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 75441943
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 32877486

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 47017399) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is COc1ccc(CN(C)C(=O)CCn2cnc3sccc3c2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is VQYQEGTXFJBQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-21(11-13-4-5-15(25-2)16(10-13)26-3)17(23)6-8-22-12-20-18-14(19(22)24)7-9-27-18/h4-5,7,9-10,12H,6,8,11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 47017399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).