(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide

C20H20N4O3S — CID 136712452

IUPAC(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-2-27-15-11-7-6-10-14(15)22-19(26)18(13-8-4-3-5-9-13)28-20-23-16(21)12-17(25)24-20/h3-12,18H,2H2,1H3,(H,22,26)(H3,21,23,24,25)/t18-/m1/s1
InChIKeyASOGWUNSNPNKHK-GOSISDBHSA-N
MW396.47 g/mol
LogP3.22
Rot. Bonds7

About (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 136712452) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID136712452
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-2-27-15-11-7-6-10-14(15)22-19(26)18(13-8-4-3-5-9-13)28-20-23-16(21)12-17(25)24-20/h3-12,18H,2H2,1H3,(H,22,26)(H3,21,23,24,25)/t18-/m1/s1
InChIKeyASOGWUNSNPNKHK-GOSISDBHSA-N
XLogP3.22
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 136712452) is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is ASOGWUNSNPNKHK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-27-15-11-7-6-10-14(15)22-19(26)18(13-8-4-3-5-9-13)28-20-23-16(21)12-17(25)24-20/h3-12,18H,2H2,1H3,(H,22,26)(H3,21,23,24,25)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 396.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 136712452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).