N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide

C16H15NS — CID 134891293

IUPACN-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide
SMILESCC(=S)Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C16H15NS/c1-13(18)17-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-12H,1H3,(H,17,18)/b12-11+
InChIKeyYEYVXHJFTIFBCQ-VAWYXSNFSA-N
MW253.37 g/mol
LogP4.62
Rot. Bonds3

About N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide

N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide (PubChem CID 134891293) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide.

Molecular Properties

Compound NameN-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide
PubChem CID134891293
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC NameN-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide
SMILESCC(=S)Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C16H15NS/c1-13(18)17-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-12H,1H3,(H,17,18)/b12-11+
InChIKeyYEYVXHJFTIFBCQ-VAWYXSNFSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
CID 154705773
N-ethyl-2-(2-phenylethenyl)aniline
CID 152532004
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
N-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]benzamide
CID 166628260
N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 67688103
3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741
acetic acid;stilbene
CID 172803728
[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamodithioic acid
CID 174939442
(2-but-1-enylphenyl)carbamic acid
CID 163942827
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 154704341
N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide
CID 633952

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide?
The IUPAC name of N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide (CID 134891293) is N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide.
What is the SMILES notation for N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide?
The canonical SMILES for N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide is CC(=S)Nc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide?
The InChIKey is YEYVXHJFTIFBCQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H15NS/c1-13(18)17-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-12H,1H3,(H,17,18)/b12-11+.
What are the key properties of N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide?
N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide has a molecular weight of 253.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide is sourced from PubChem (CID 134891293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).