N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide

C18H19NOS — CID 2118628

IUPACN-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSC/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H19NOS/c1-15-9-11-17(12-10-15)19-18(20)14-21-13-5-8-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,19,20)/b8-5+
InChIKeyPGLPPLRPYOBSMX-VMPITWQZSA-N
MW297.42 g/mol
LogP4.38
Rot. Bonds6

About N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide

N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide (PubChem CID 2118628) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
PubChem CID2118628
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSC/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H19NOS/c1-15-9-11-17(12-10-15)19-18(20)14-21-13-5-8-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,19,20)/b8-5+
InChIKeyPGLPPLRPYOBSMX-VMPITWQZSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide
CID 7509862
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
(E)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-3-phenylprop-2-enoic acid
CID 16633915
ethyl 2-[(E)-3-phenylprop-2-enyl]sulfanylacetate
CID 12522446
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 6219239
N-(5-chloro-2-methoxyphenyl)-2-(3-phenylprop-2-enylsulfanyl)acetamide
CID 4852447
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
2-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 55589263

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide (CID 2118628) is N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide is Cc1ccc(NC(=O)CSC/C=C/c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The InChIKey is PGLPPLRPYOBSMX-VMPITWQZSA-N. The full InChI is InChI=1S/C18H19NOS/c1-15-9-11-17(12-10-15)19-18(20)14-21-13-5-8-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,19,20)/b8-5+.
What are the key properties of N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide has a molecular weight of 297.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide is sourced from PubChem (CID 2118628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).