N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C15H21N3O2S2 — CID 75441943

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H21N3O2S2/c1-4-11(9-21-3)17(2)13(19)5-7-18-10-16-14-12(15(18)20)6-8-22-14/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyFFXKRSBJPZZNEP-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.45
Rot. Bonds7

About N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 75441943) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID75441943
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H21N3O2S2/c1-4-11(9-21-3)17(2)13(19)5-7-18-10-16-14-12(15(18)20)6-8-22-14/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyFFXKRSBJPZZNEP-UHFFFAOYSA-N
XLogP2.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119584978
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 134004002
N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111695480
3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 119207447
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017399
N-methyl-N-(2-methylcyclohexyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 134020391
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 30888512
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554425
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 29467754

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 75441943) is N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CCC(CSC)N(C)C(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is FFXKRSBJPZZNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-4-11(9-21-3)17(2)13(19)5-7-18-10-16-14-12(15(18)20)6-8-22-14/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 339.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 75441943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).