N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

C17H17N3O2S2 — CID 18123797

IUPACN-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)Sc2ncnc3ccsc23)cc1
InChIInChI=1S/C17H17N3O2S2/c1-11(24-17-15-14(7-8-23-15)19-10-20-17)16(21)18-9-12-3-5-13(22-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,18,21)
InChIKeyRKVODCUVGZRTKD-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.50
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 18123797) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID18123797
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)Sc2ncnc3ccsc23)cc1
InChIInChI=1S/C17H17N3O2S2/c1-11(24-17-15-14(7-8-23-15)19-10-20-17)16(21)18-9-12-3-5-13(22-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,18,21)
InChIKeyRKVODCUVGZRTKD-UHFFFAOYSA-N
XLogP3.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123973
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 46567728
N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661845
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123984
N-(2-methoxy-5-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123978
N-(2-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280481
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 2085992
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 41045217
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837093

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (CID 18123797) is N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is COc1ccc(CNC(=O)C(C)Sc2ncnc3ccsc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is RKVODCUVGZRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11(24-17-15-14(7-8-23-15)19-10-20-17)16(21)18-9-12-3-5-13(22-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 359.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 18123797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).