2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide

C18H17N3O2S2 — CID 34253042

IUPAC2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C18H17N3O2S2/c1-11(2)17(23)21-13-5-3-12(4-6-13)15(22)9-25-18-16-14(7-8-24-16)19-10-20-18/h3-8,10-11H,9H2,1-2H3,(H,21,23)
InChIKeyLHCSXQGEWGNYED-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.26
Rot. Bonds6

About 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide

2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide (PubChem CID 34253042) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
PubChem CID34253042
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C18H17N3O2S2/c1-11(2)17(23)21-13-5-3-12(4-6-13)15(22)9-25-18-16-14(7-8-24-16)19-10-20-18/h3-8,10-11H,9H2,1-2H3,(H,21,23)
InChIKeyLHCSXQGEWGNYED-UHFFFAOYSA-N
XLogP4.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
CID 34111095
1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34256425
1-(4-methylsulfonylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123886
1-(3,4-dimethylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123998
1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34245392
4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)benzamide
CID 51280442
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
1-(1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 51280422
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
3-methyl-N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]butanamide
CID 7889277
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide (CID 34253042) is 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(C(=O)CSc2ncnc3ccsc23)cc1.
What is the InChIKey of 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide?
The InChIKey is LHCSXQGEWGNYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-11(2)17(23)21-13-5-3-12(4-6-13)15(22)9-25-18-16-14(7-8-24-16)19-10-20-18/h3-8,10-11H,9H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide?
2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide is sourced from PubChem (CID 34253042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).