N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide

C19H22N4O4S2 — CID 135955583

IUPACN-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide
SMILESCCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H22N4O4S2/c1-2-10-23(12-16-21-15-9-11-28-18(15)19(25)22-16)17(24)8-5-13-3-6-14(7-4-13)29(20,26)27/h3-4,6-7,9,11H,2,5,8,10,12H2,1H3,(H2,20,26,27)(H,21,22,25)
InChIKeyAZTVKZXEIAOKPR-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.00
Rot. Bonds8

About N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide

N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide (PubChem CID 135955583) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide
PubChem CID135955583
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC NameN-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide
SMILESCCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H22N4O4S2/c1-2-10-23(12-16-21-15-9-11-28-18(15)19(25)22-16)17(24)8-5-13-3-6-14(7-4-13)29(20,26)27/h3-4,6-7,9,11H,2,5,8,10,12H2,1H3,(H2,20,26,27)(H,21,22,25)
InChIKeyAZTVKZXEIAOKPR-UHFFFAOYSA-N
XLogP2.00
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)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

3-methylsulfonyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propylbenzamide
CID 135938047
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propylacetamide
CID 135857813
N-methyl-4-[(E)-3-oxo-3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]prop-1-enyl]benzamide
CID 135939382
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-propylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135665494
2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777080
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 137294411
N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide
CID 135957815
3-(3-bromo-4-methoxyphenyl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylpropanamide
CID 135993529
2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 135968768
N-methyl-4-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide
CID 135968758
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135715086

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide (CID 135955583) is N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide is CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is AZTVKZXEIAOKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-2-10-23(12-16-21-15-9-11-28-18(15)19(25)22-16)17(24)8-5-13-3-6-14(7-4-13)29(20,26)27/h3-4,6-7,9,11H,2,5,8,10,12H2,1H3,(H2,20,26,27)(H,21,22,25).
What are the key properties of N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide?
N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 434.54 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propyl-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 135955583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).