N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide

C17H14N4O2S2 — CID 51280333

IUPACN-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H14N4O2S2/c1-10(15(22)19-12-5-3-4-11(8-12)9-18)25-17-20-13-6-7-24-14(13)16(23)21(17)2/h3-8,10H,1-2H3,(H,19,22)
InChIKeySHCGBNXVVLNQGI-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.99
Rot. Bonds4

About N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide

N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide (PubChem CID 51280333) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
PubChem CID51280333
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H14N4O2S2/c1-10(15(22)19-12-5-3-4-11(8-12)9-18)25-17-20-13-6-7-24-14(13)16(23)21(17)2/h3-8,10H,1-2H3,(H,19,22)
InChIKeySHCGBNXVVLNQGI-UHFFFAOYSA-N
XLogP2.99
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
CID 51280346
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46661412
(2S)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N'-propanoylpropanehydrazide
CID 95318795
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318
(2S)-N-(3-cyanophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224544
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 9274086
(2R)-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7814206
N-(3-acetamidophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33337236
N-[(4-fluorophenyl)methyl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
CID 46666129
(2R)-N-(3-cyanophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7455672
ethyl 2-[5-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate
CID 9387531
N-(3-cyanophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51184709

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide (CID 51280333) is N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide is CC(Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is SHCGBNXVVLNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-10(15(22)19-12-5-3-4-11(8-12)9-18)25-17-20-13-6-7-24-14(13)16(23)21(17)2/h3-8,10H,1-2H3,(H,19,22).
What are the key properties of N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 370.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 51280333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).