(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

C24H21N3OS — CID 7580503

IUPAC(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N(C)c1ccccc1
InChIInChI=1S/C24H21N3OS/c1-17(24(28)27(2)19-13-7-4-8-14-19)29-23-21-16-10-9-15-20(21)22(25-26-23)18-11-5-3-6-12-18/h3-17H,1-2H3/t17-/m1/s1
InChIKeyNAGFUOBKWRZOFL-QGZVFWFLSA-N
MW399.52 g/mol
LogP5.44
Rot. Bonds5

About (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (PubChem CID 7580503) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
PubChem CID7580503
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N(C)c1ccccc1
InChIInChI=1S/C24H21N3OS/c1-17(24(28)27(2)19-13-7-4-8-14-19)29-23-21-16-10-9-15-20(21)22(25-26-23)18-11-5-3-6-12-18/h3-17H,1-2H3/t17-/m1/s1
InChIKeyNAGFUOBKWRZOFL-QGZVFWFLSA-N
XLogP5.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 24571264
(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-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7365414
(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580490
(2S)-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-phenylpropanamide
CID 40518760
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropan-1-one
CID 7915586
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropan-1-one
CID 41157144
1-(difluoromethylsulfanyl)-4-phenylphthalazine
CID 6401158
(2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(4-methylphenyl)propan-1-one
CID 7239456
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 7856781
(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 7474072

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (CID 7580503) is (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The InChIKey is NAGFUOBKWRZOFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-17(24(28)27(2)19-13-7-4-8-14-19)29-23-21-16-10-9-15-20(21)22(25-26-23)18-11-5-3-6-12-18/h3-17H,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide has a molecular weight of 399.52 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is sourced from PubChem (CID 7580503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).