(2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide

C26H26N4O2S — CID 51468968

IUPAC(2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3c(=O)n2Cc2ccccc2)cc1
InChIInChI=1S/C26H26N4O2S/c1-3-18-12-14-20(15-13-18)28-24(31)22(4-2)33-26-29-23-21(11-8-16-27-23)25(32)30(26)17-19-9-6-5-7-10-19/h5-16,22H,3-4,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyUEPHPKYWQHUEST-JOCHJYFZSA-N
MW458.59 g/mol
LogP4.91
Rot. Bonds8

About (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide

(2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide (PubChem CID 51468968) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide
PubChem CID51468968
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC Name(2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3c(=O)n2Cc2ccccc2)cc1
InChIInChI=1S/C26H26N4O2S/c1-3-18-12-14-20(15-13-18)28-24(31)22(4-2)33-26-29-23-21(11-8-16-27-23)25(32)30(26)17-19-9-6-5-7-10-19/h5-16,22H,3-4,17H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyUEPHPKYWQHUEST-JOCHJYFZSA-N
XLogP4.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide with MolForge

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
CID 51468974
N-(4-ethylphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxopteridin-2-yl]sulfanylbutanamide
CID 22518349
(2R)-N-(4-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460602
(2R)-N-(4-fluorophenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460604
2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(4-ethylphenyl)butanamide
CID 4084019
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
N-cyclopentyl-4-[[2-[1-(2-ethylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 46370243
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20879157
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
CID 23743129
N-(3-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
CID 6622950
3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanoylamino]benzoic acid
CID 23858595

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide?
The IUPAC name of (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide (CID 51468968) is (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide?
The canonical SMILES for (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide is CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3c(=O)n2Cc2ccccc2)cc1.
What is the InChIKey of (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide?
The InChIKey is UEPHPKYWQHUEST-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-3-18-12-14-20(15-13-18)28-24(31)22(4-2)33-26-29-23-21(11-8-16-27-23)25(32)30(26)17-19-9-6-5-7-10-19/h5-16,22H,3-4,17H2,1-2H3,(H,28,31)/t22-/m1/s1.
What are the key properties of (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide?
(2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide has a molecular weight of 458.59 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide is sourced from PubChem (CID 51468968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).