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

C21H16N4O2S2 — CID 4880072

IUPACN-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H16N4O2S2/c26-18(12-29-21-16-10-11-28-20(16)22-13-23-21)25-17-9-5-4-8-15(17)19(27)24-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,27)(H,25,26)
InChIKeyXQMDKYDHWQCPRR-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.67
Rot. Bonds6

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

N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (PubChem CID 4880072) has the molecular formula C21H16N4O2S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
PubChem CID4880072
Molecular FormulaC21H16N4O2S2
Molecular Weight420.52 g/mol
Exact Mass420.07
IUPAC NameN-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H16N4O2S2/c26-18(12-29-21-16-10-11-28-20(16)22-13-23-21)25-17-9-5-4-8-15(17)19(27)24-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,27)(H,25,26)
InChIKeyXQMDKYDHWQCPRR-UHFFFAOYSA-N
XLogP4.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 7889162
N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 16541563
N-(4-methoxyphenyl)-2-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide
CID 16541510
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 3516818
N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 2674057
N-(2-chloro-4-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707960
N-(4-piperidin-1-ylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 4786757
N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 9389594
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707946
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613
N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
CID 2620993

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide (CID 4880072) is N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is O=C(CSc1ncnc2sccc12)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
The InChIKey is XQMDKYDHWQCPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S2/c26-18(12-29-21-16-10-11-28-20(16)22-13-23-21)25-17-9-5-4-8-15(17)19(27)24-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,27)(H,25,26).
What are the key properties of N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide?
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide has a molecular weight of 420.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 4880072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).