(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

C20H21N3O2S — CID 8740845

IUPAC(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESCOCCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H21N3O2S/c1-14(19(24)21-12-13-25-2)26-20-17-11-7-6-10-16(17)18(22-23-20)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyCQMDHMZMLKKQMK-AWEZNQCLSA-N
MW367.47 g/mol
LogP3.54
Rot. Bonds7

About (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (PubChem CID 8740845) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
PubChem CID8740845
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESCOCCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H21N3O2S/c1-14(19(24)21-12-13-25-2)26-20-17-11-7-6-10-16(17)18(22-23-20)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyCQMDHMZMLKKQMK-AWEZNQCLSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580495
(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580490
N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 24571264
(2S)-N-(2-methoxyethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 9308123
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 41137697
(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580503
2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid
CID 43088963
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957294
N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide
CID 46622289
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (CID 8740845) is (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is COCCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The InChIKey is CQMDHMZMLKKQMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(19(24)21-12-13-25-2)26-20-17-11-7-6-10-16(17)18(22-23-20)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is sourced from PubChem (CID 8740845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).