N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

C24H20N4O2S — CID 24571264

IUPACN-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESCC(Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H20N4O2S/c1-16(22(29)26-24(30)25-18-12-6-3-7-13-18)31-23-20-15-9-8-14-19(20)21(27-28-23)17-10-4-2-5-11-17/h2-16H,1H3,(H2,25,26,29,30)
InChIKeyJQSHBBCZIACCHO-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.13
Rot. Bonds5

About N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (PubChem CID 24571264) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
PubChem CID24571264
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESCC(Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H20N4O2S/c1-16(22(29)26-24(30)25-18-12-6-3-7-13-18)31-23-20-15-9-8-14-19(20)21(27-28-23)17-10-4-2-5-11-17/h2-16H,1H3,(H2,25,26,29,30)
InChIKeyJQSHBBCZIACCHO-UHFFFAOYSA-N
XLogP5.13
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580490
(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 8740845
(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580495
(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580503
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 46682398
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 51480183
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 46668535
N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide
CID 46622289
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 41137697

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The IUPAC name of N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (CID 24571264) is N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.
What is the SMILES notation for N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The canonical SMILES for N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is CC(Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The InChIKey is JQSHBBCZIACCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-16(22(29)26-24(30)25-18-12-6-3-7-13-18)31-23-20-15-9-8-14-19(20)21(27-28-23)17-10-4-2-5-11-17/h2-16H,1H3,(H2,25,26,29,30).
What are the key properties of N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide has a molecular weight of 428.52 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is sourced from PubChem (CID 24571264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).