N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide

C22H19N3OS2 — CID 2946517

IUPACN-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C22H19N3OS2/c1-2-8-19(26)25-17-11-6-7-12-18(17)28-22-20-16(15-9-4-3-5-10-15)13-27-21(20)23-14-24-22/h3-7,9-14H,2,8H2,1H3,(H,25,26)
InChIKeyRPQFHSOTKCWCCP-UHFFFAOYSA-N
MW405.55 g/mol
LogP6.25
Rot. Bonds6

About N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide

N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide (PubChem CID 2946517) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide
PubChem CID2946517
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC NameN-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C22H19N3OS2/c1-2-8-19(26)25-17-11-6-7-12-18(17)28-22-20-16(15-9-4-3-5-10-15)13-27-21(20)23-14-24-22/h3-7,9-14H,2,8H2,1H3,(H,25,26)
InChIKeyRPQFHSOTKCWCCP-UHFFFAOYSA-N
XLogP6.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 1156706
N-butyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2393174
N-(2-methylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 8714061
N-(2-nitrophenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 35686306
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 4791260
ethyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 725222
N-cyclopentyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1154282
N-(3-acetamidophenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1173295
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2558618
1-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 7674173
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-phenylacetamide
CID 1075053
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 3495979

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide?
The IUPAC name of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide (CID 2946517) is N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide.
What is the SMILES notation for N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide?
The canonical SMILES for N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide is CCCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide?
The InChIKey is RPQFHSOTKCWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c1-2-8-19(26)25-17-11-6-7-12-18(17)28-22-20-16(15-9-4-3-5-10-15)13-27-21(20)23-14-24-22/h3-7,9-14H,2,8H2,1H3,(H,25,26).
What are the key properties of N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide?
N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide has a molecular weight of 405.55 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]butanamide is sourced from PubChem (CID 2946517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).