N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

C30H27N3O3S2 — CID 44641046

IUPACN-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1nc2sc(C)c(-c3ccccc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H27N3O3S2/c1-4-36-24-18-12-11-17-23(24)31-27(34)20(3)38-30-32-28-26(29(35)33(30)22-15-9-6-10-16-22)25(19(2)37-28)21-13-7-5-8-14-21/h5-18,20H,4H2,1-3H3,(H,31,34)
InChIKeyZKYRLCHNKNJFHC-UHFFFAOYSA-N
MW541.70 g/mol
LogP6.94
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide (PubChem CID 44641046) has the molecular formula C30H27N3O3S2 and a molecular weight of 541.70 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
PubChem CID44641046
Molecular FormulaC30H27N3O3S2
Molecular Weight541.70 g/mol
Exact Mass541.15
IUPAC NameN-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1nc2sc(C)c(-c3ccccc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H27N3O3S2/c1-4-36-24-18-12-11-17-23(24)31-27(34)20(3)38-30-32-28-26(29(35)33(30)22-15-9-6-10-16-22)25(19(2)37-28)21-13-7-5-8-14-21/h5-18,20H,4H2,1-3H3,(H,31,34)
InChIKeyZKYRLCHNKNJFHC-UHFFFAOYSA-N
XLogP6.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 44641076
2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 44641049
2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16541880
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 46629266
N-(2-ethoxyphenyl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 44640437
(2S)-N-(2-ethoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738051
(2S)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 8727091
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 8727103
N-benzyl-N-methyl-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 40913981
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one
CID 40913944
2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 2382619
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46674723

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide (CID 44641046) is N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide is CCOc1ccccc1NC(=O)C(C)Sc1nc2sc(C)c(-c3ccccc3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is ZKYRLCHNKNJFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3S2/c1-4-36-24-18-12-11-17-23(24)31-27(34)20(3)38-30-32-28-26(29(35)33(30)22-15-9-6-10-16-22)25(19(2)37-28)21-13-7-5-8-14-21/h5-18,20H,4H2,1-3H3,(H,31,34).
What are the key properties of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide?
N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 541.70 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 44641046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).