N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide

C17H16N4O2S2 — CID 17418273

IUPACN-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2ncnc3ccsc23)c1
InChIInChI=1S/C17H16N4O2S2/c1-2-18-16(23)11-4-3-5-12(8-11)21-14(22)9-25-17-15-13(6-7-24-15)19-10-20-17/h3-8,10H,2,9H2,1H3,(H,18,23)(H,21,22)
InChIKeyJGYRYIKSHKSHHF-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide

N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (PubChem CID 17418273) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
PubChem CID17418273
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC NameN-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2ncnc3ccsc23)c1
InChIInChI=1S/C17H16N4O2S2/c1-2-18-16(23)11-4-3-5-12(8-11)21-14(22)9-25-17-15-13(6-7-24-15)19-10-20-17/h3-8,10H,2,9H2,1H3,(H,18,23)(H,21,22)
InChIKeyJGYRYIKSHKSHHF-UHFFFAOYSA-N
XLogP3.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34244719
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123788
N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 78812898
N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 9200888
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24559093
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613
methyl 4-methyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate
CID 34247171
N-(2,4-dichlorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245203
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18123956

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (CID 17418273) is N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is CCNC(=O)c1cccc(NC(=O)CSc2ncnc3ccsc23)c1.
What is the InChIKey of N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The InChIKey is JGYRYIKSHKSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-2-18-16(23)11-4-3-5-12(8-11)21-14(22)9-25-17-15-13(6-7-24-15)19-10-20-17/h3-8,10H,2,9H2,1H3,(H,18,23)(H,21,22).
What are the key properties of N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide has a molecular weight of 372.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 17418273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).