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

C17H16N4O2S2 — CID 2674057

IUPACN,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSc2ncnc3sccc23)cc1
InChIInChI=1S/C17H16N4O2S2/c1-21(2)17(23)11-3-5-12(6-4-11)20-14(22)9-25-16-13-7-8-24-15(13)18-10-19-16/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyNOZSFZRSNJQXFE-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.12
Rot. Bonds5

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

N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (PubChem CID 2674057) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
PubChem CID2674057
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC NameN,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSc2ncnc3sccc23)cc1
InChIInChI=1S/C17H16N4O2S2/c1-21(2)17(23)11-3-5-12(6-4-11)20-14(22)9-25-16-13-7-8-24-15(13)18-10-19-16/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyNOZSFZRSNJQXFE-UHFFFAOYSA-N
XLogP3.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
CID 2620993
3-methyl-N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]butanamide
CID 7889277
N-(4-piperidin-1-ylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 4786757
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 4880072
N-(2-chloro-4-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707960
[2-(dimethylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735649
N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 16541563
4-[[2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 31197030
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
N-[[(2R)-butan-2-yl]carbamoyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889493

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (CID 2674057) is N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CSc2ncnc3sccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The InChIKey is NOZSFZRSNJQXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-21(2)17(23)11-3-5-12(6-4-11)20-14(22)9-25-16-13-7-8-24-15(13)18-10-19-16/h3-8,10H,9H2,1-2H3,(H,20,22).
What are the key properties of N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide has a molecular weight of 372.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 2674057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).