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

C16H13N3O2S2 — CID 2620993

IUPACN-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2ncnc3sccc23)cc1
InChIInChI=1S/C16H13N3O2S2/c1-10(20)19-12-4-2-11(3-5-12)14(21)8-23-16-13-6-7-22-15(13)17-9-18-16/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyKJAATRLJDPZOBM-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.62
Rot. Bonds5

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

N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide (PubChem CID 2620993) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
PubChem CID2620993
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC NameN-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2ncnc3sccc23)cc1
InChIInChI=1S/C16H13N3O2S2/c1-10(20)19-12-4-2-11(3-5-12)14(21)8-23-16-13-6-7-22-15(13)17-9-18-16/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyKJAATRLJDPZOBM-UHFFFAOYSA-N
XLogP3.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]butanamide
CID 7889277
N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 2674057
1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 8676106
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8951494
[2-(4-ethylphenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735739
N-(4-piperidin-1-ylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 4786757
3-methyl-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-1,3-dihydroindol-2-one
CID 17476712
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735986
[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
CID 34111095
phenacyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742490
2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
CID 34253042
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide (CID 2620993) is N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2ncnc3sccc23)cc1.
What is the InChIKey of N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide?
The InChIKey is KJAATRLJDPZOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c1-10(20)19-12-4-2-11(3-5-12)14(21)8-23-16-13-6-7-22-15(13)17-9-18-16/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide?
N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide is sourced from PubChem (CID 2620993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).