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

C24H21N3O2S — CID 7580490

IUPAC(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H21N3O2S/c1-16(23(28)25-20-14-8-9-15-21(20)29-2)30-24-19-13-7-6-12-18(19)22(26-27-24)17-10-4-3-5-11-17/h3-16H,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyGGQAQVVZGXXFLQ-INIZCTEOSA-N
MW415.52 g/mol
LogP5.42
Rot. Bonds6

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

(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (PubChem CID 7580490) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
PubChem CID7580490
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H21N3O2S/c1-16(23(28)25-20-14-8-9-15-21(20)29-2)30-24-19-13-7-6-12-18(19)22(26-27-24)17-10-4-3-5-11-17/h3-16H,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyGGQAQVVZGXXFLQ-INIZCTEOSA-N
XLogP5.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide
CID 46622289
N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 24571264
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 42985106
(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 7625528
(2R)-N-(2-methoxyphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7675647
(2S)-N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2663307
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
(2S)-N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7713139
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 18777406
(2S)-N-(2-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 2633299
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 2084302

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (CID 7580490) is (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The InChIKey is GGQAQVVZGXXFLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16(23(28)25-20-14-8-9-15-21(20)29-2)30-24-19-13-7-6-12-18(19)22(26-27-24)17-10-4-3-5-11-17/h3-16H,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide has a molecular weight of 415.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is sourced from PubChem (CID 7580490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).