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

C18H18N4O2S2 — CID 36983613

IUPACN-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C18H18N4O2S2/c1-11(2)21-17(24)12-5-3-4-6-13(12)22-15(23)9-26-18-16-14(7-8-25-16)19-10-20-18/h3-8,10-11H,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLONXOEMCEXJJDQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.56
Rot. Bonds6

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

N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (PubChem CID 36983613) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
PubChem CID36983613
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C18H18N4O2S2/c1-11(2)21-17(24)12-5-3-4-6-13(12)22-15(23)9-26-18-16-14(7-8-25-16)19-10-20-18/h3-8,10-11H,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLONXOEMCEXJJDQ-UHFFFAOYSA-N
XLogP3.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide with MolForge

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Related Compounds

N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 60530030
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123864
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
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
N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide
CID 55597378
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18123956
N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34244719
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 4880072

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (CID 36983613) is N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is CC(C)NC(=O)c1ccccc1NC(=O)CSc1ncnc2ccsc12.
What is the InChIKey of N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The InChIKey is LONXOEMCEXJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11(2)21-17(24)12-5-3-4-6-13(12)22-15(23)9-26-18-16-14(7-8-25-16)19-10-20-18/h3-8,10-11H,9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide has a molecular weight of 386.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 36983613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).