(2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C15H14N4O3S — CID 7450263

IUPAC(2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCOc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C15H14N4O3S/c1-9(23-15-18-12(20)7-13(19-15)22-2)14(21)17-11-6-4-3-5-10(11)8-16/h3-7,9H,1-2H3,(H,17,21)(H,18,19,20)/t9-/m1/s1
InChIKeyAHCFAOYXGFJVGO-SECBINFHSA-N
MW330.37 g/mol
LogP1.77
Rot. Bonds5

About (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

(2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 7450263) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID7450263
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name(2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCOc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C15H14N4O3S/c1-9(23-15-18-12(20)7-13(19-15)22-2)14(21)17-11-6-4-3-5-10(11)8-16/h3-7,9H,1-2H3,(H,17,21)(H,18,19,20)/t9-/m1/s1
InChIKeyAHCFAOYXGFJVGO-SECBINFHSA-N
XLogP1.77
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 6501404
(2R)-N-(4-acetylphenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7450221
(2R)-N-(2,6-dimethylphenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9147422
N-(2-cyanophenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135505422
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552392
(2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7450250
(2R)-N-(5-bromo-2-pyridinyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7450211
(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
CID 2501567
methyl 2-[2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136684826
N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437
2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 136686612
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 7450263) is (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is COc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccccc2C#N)n1.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is AHCFAOYXGFJVGO-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-9(23-15-18-12(20)7-13(19-15)22-2)14(21)17-11-6-4-3-5-10(11)8-16/h3-7,9H,1-2H3,(H,17,21)(H,18,19,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
(2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 330.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7450263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).