(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

C22H19N3O2S — CID 7580495

IUPAC(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C22H19N3O2S/c1-15(21(26)23-14-17-10-7-13-27-17)28-22-19-12-6-5-11-18(19)20(24-25-22)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyFDXWNVOQGGHOAD-OAHLLOKOSA-N
MW389.48 g/mol
LogP4.69
Rot. Bonds6

About (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide

(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (PubChem CID 7580495) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
PubChem CID7580495
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C22H19N3O2S/c1-15(21(26)23-14-17-10-7-13-27-17)28-22-19-12-6-5-11-18(19)20(24-25-22)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyFDXWNVOQGGHOAD-OAHLLOKOSA-N
XLogP4.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 8740845
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 41137697
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 46357692
N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 24571264
(2R)-N-(furan-2-ylmethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8787157
(2R)-N-methyl-N-phenyl-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580503
(2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 2473670
(2R)-N-(furan-2-ylmethyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40550081
N-benzyl-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51280035

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide (CID 7580495) is (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NCc1ccco1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
The InChIKey is FDXWNVOQGGHOAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15(21(26)23-14-17-10-7-13-27-17)28-22-19-12-6-5-11-18(19)20(24-25-22)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide?
(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide has a molecular weight of 389.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide is sourced from PubChem (CID 7580495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).