(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

C16H14N4O2S2 — CID 41045217

IUPAC(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ncnc2ccsc12)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H14N4O2S2/c1-10(24-15-13-12(7-8-23-13)17-9-18-15)14(21)20-16(22)19-11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21,22)/t10-/m1/s1
InChIKeyJXNWBYQZPDFKJJ-SNVBAGLBSA-N
MW358.45 g/mol
LogP3.52
Rot. Bonds4

About (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 41045217) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID41045217
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ncnc2ccsc12)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H14N4O2S2/c1-10(24-15-13-12(7-8-23-13)17-9-18-15)14(21)20-16(22)19-11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21,22)/t10-/m1/s1
InChIKeyJXNWBYQZPDFKJJ-SNVBAGLBSA-N
XLogP3.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)benzamide
CID 51280442
N-(2-phenylpropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280457
N-(4-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123973
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123984
N-(2-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280481
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18275346
2,2-dimethyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoyl)phenyl]propanamide
CID 46666372
N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280486
1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 51280487
N-(2-methoxy-5-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123978
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
N-[(4-methoxyphenyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123797

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (CID 41045217) is (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is C[C@@H](Sc1ncnc2ccsc12)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is JXNWBYQZPDFKJJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-10(24-15-13-12(7-8-23-13)17-9-18-15)14(21)20-16(22)19-11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 358.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 41045217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).