N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide

C19H21N3O2S2 — CID 46567831

IUPACN-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc2ccsc2c(=O)n1CC)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2S2/c1-3-15(17(23)20-12-13-8-6-5-7-9-13)26-19-21-14-10-11-25-16(14)18(24)22(19)4-2/h5-11,15H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyBJMJUDJYCWJHBL-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.66
Rot. Bonds7

About N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide

N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide (PubChem CID 46567831) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide
PubChem CID46567831
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc2ccsc2c(=O)n1CC)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2S2/c1-3-15(17(23)20-12-13-8-6-5-7-9-13)26-19-21-14-10-11-25-16(14)18(24)22(19)4-2/h5-11,15H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyBJMJUDJYCWJHBL-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide 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-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 46567728
3-[2-[1-(4-methylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoic acid
CID 4189651
3-[2-[1-(2,6-diethylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoate
CID 4188451
N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 55574473
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772263
(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674923
(2S)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674922
N-benzyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylbutanamide
CID 75868884
N-benzyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 46683933
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide?
The IUPAC name of N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide (CID 46567831) is N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide is CCC(Sc1nc2ccsc2c(=O)n1CC)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide?
The InChIKey is BJMJUDJYCWJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-3-15(17(23)20-12-13-8-6-5-7-9-13)26-19-21-14-10-11-25-16(14)18(24)22(19)4-2/h5-11,15H,3-4,12H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide?
N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide has a molecular weight of 387.53 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 46567831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).