N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide

C24H25N3O2S — CID 143001210

IUPACN-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide
SMILESC/C=C(\SC)c1nc(-c2ccc(OC)cc2)cnc1NC(=O)CCc1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-4-21(30-3)23-24(27-22(28)15-10-17-8-6-5-7-9-17)25-16-20(26-23)18-11-13-19(29-2)14-12-18/h4-9,11-14,16H,10,15H2,1-3H3,(H,25,27,28)/b21-4-
InChIKeyFLSYWKMCWGYTIQ-IGLQUIOVSA-N
MW419.55 g/mol
LogP5.45
Rot. Bonds8

About N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide

N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide (PubChem CID 143001210) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide
PubChem CID143001210
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide
SMILESC/C=C(\SC)c1nc(-c2ccc(OC)cc2)cnc1NC(=O)CCc1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-4-21(30-3)23-24(27-22(28)15-10-17-8-6-5-7-9-17)25-16-20(26-23)18-11-13-19(29-2)14-12-18/h4-9,11-14,16H,10,15H2,1-3H3,(H,25,27,28)/b21-4-
InChIKeyFLSYWKMCWGYTIQ-IGLQUIOVSA-N
XLogP5.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide 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-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
CID 137101630
N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide
CID 42691756
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-[3-benzyl-5-(4-methylphenyl)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide;dichloromethane;tribromoborane
CID 123158666
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
CID 63261894
3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide
CID 112532794
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide
CID 90515846
2-[4-(3-phenylpropanoylamino)phenoxy]acetate
CID 2231593
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide (CID 143001210) is N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide is C/C=C(\SC)c1nc(-c2ccc(OC)cc2)cnc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide?
The InChIKey is FLSYWKMCWGYTIQ-IGLQUIOVSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-4-21(30-3)23-24(27-22(28)15-10-17-8-6-5-7-9-17)25-16-20(26-23)18-11-13-19(29-2)14-12-18/h4-9,11-14,16H,10,15H2,1-3H3,(H,25,27,28)/b21-4-.
What are the key properties of N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide?
N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide has a molecular weight of 419.55 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-3-[(Z)-1-methylsulfanylprop-1-enyl]pyrazin-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 143001210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).