N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide

C19H21NOS — CID 46512645

IUPACN-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
SMILESCc1cccc(NC(=O)C(C)SC/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21NOS/c1-15-8-6-12-18(14-15)20-19(21)16(2)22-13-7-11-17-9-4-3-5-10-17/h3-12,14,16H,13H2,1-2H3,(H,20,21)/b11-7+
InChIKeyJAHFKNGAGMUKQN-YRNVUSSQSA-N
MW311.45 g/mol
LogP4.77
Rot. Bonds6

About N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide

N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide (PubChem CID 46512645) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
PubChem CID46512645
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
SMILESCc1cccc(NC(=O)C(C)SC/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21NOS/c1-15-8-6-12-18(14-15)20-19(21)16(2)22-13-7-11-17-9-4-3-5-10-17/h3-12,14,16H,13H2,1-2H3,(H,20,21)/b11-7+
InChIKeyJAHFKNGAGMUKQN-YRNVUSSQSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
CID 52510285
2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
CID 42912749
N-(3,5-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 18901816
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 18153408
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide
CID 56640990
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-(3-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905851
(2S)-2-benzylsulfanyl-N-(3-bromophenyl)propanamide
CID 1095209
(2R)-N-(3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 7795549
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7466965

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
The IUPAC name of N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide (CID 46512645) is N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide is Cc1cccc(NC(=O)C(C)SC/C=C/c2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
The InChIKey is JAHFKNGAGMUKQN-YRNVUSSQSA-N. The full InChI is InChI=1S/C19H21NOS/c1-15-8-6-12-18(14-15)20-19(21)16(2)22-13-7-11-17-9-4-3-5-10-17/h3-12,14,16H,13H2,1-2H3,(H,20,21)/b11-7+.
What are the key properties of N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide has a molecular weight of 311.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide is sourced from PubChem (CID 46512645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).