N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide

C19H19N3O2S2 — CID 51111313

IUPACN-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)C(C)Sc2ncnc3ccsc23)cc1
InChIInChI=1S/C19H19N3O2S2/c1-12(26-19-18-16(8-10-25-18)21-11-22-19)17(24)15-5-3-14(4-6-15)7-9-20-13(2)23/h3-6,8,10-12H,7,9H2,1-2H3,(H,20,23)
InChIKeyKYNVFXPQTREGSZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.73
Rot. Bonds7

About N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide

N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide (PubChem CID 51111313) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide
PubChem CID51111313
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)C(C)Sc2ncnc3ccsc23)cc1
InChIInChI=1S/C19H19N3O2S2/c1-12(26-19-18-16(8-10-25-18)21-11-22-19)17(24)15-5-3-14(4-6-15)7-9-20-13(2)23/h3-6,8,10-12H,7,9H2,1-2H3,(H,20,23)
InChIKeyKYNVFXPQTREGSZ-UHFFFAOYSA-N
XLogP3.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 18123818
2,2-dimethyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]propanamide
CID 46666372
N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123797
N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661845
N-(2-phenylpropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280457
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123984
N-(2-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280481
N-[2-[4-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]phenyl]ethyl]acetamide
CID 55445246
N-(4-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123973
(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 41045217
N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide
CID 51294386
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 24559112

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide (CID 51111313) is N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)C(C)Sc2ncnc3ccsc23)cc1.
What is the InChIKey of N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide?
The InChIKey is KYNVFXPQTREGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-12(26-19-18-16(8-10-25-18)21-11-22-19)17(24)15-5-3-14(4-6-15)7-9-20-13(2)23/h3-6,8,10-12H,7,9H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide?
N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 51111313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).