thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate

C19H16N2O2S — CID 69157838

IUPACthiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate
SMILESCc1cccc(C=Cc2cccc(NC(=O)Oc3cccs3)c2)n1
InChIInChI=1S/C19H16N2O2S/c1-14-5-2-7-16(20-14)11-10-15-6-3-8-17(13-15)21-19(22)23-18-9-4-12-24-18/h2-13H,1H3,(H,21,22)
InChIKeyBHXUDKFZIYDRNG-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.23
Rot. Bonds4

About thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate

thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate (PubChem CID 69157838) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate.

Molecular Properties

Compound Namethiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate
PubChem CID69157838
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Namethiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate
SMILESCc1cccc(C=Cc2cccc(NC(=O)Oc3cccs3)c2)n1
InChIInChI=1S/C19H16N2O2S/c1-14-5-2-7-16(20-14)11-10-15-6-3-8-17(13-15)21-19(22)23-18-9-4-12-24-18/h2-13H,1H3,(H,21,22)
InChIKeyBHXUDKFZIYDRNG-UHFFFAOYSA-N
XLogP5.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea
CID 54276660
3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride
CID 69156542
3-[2-(6-methyl-2-pyridinyl)ethenyl]benzamide
CID 69156491
[3-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl]-thiophen-2-ylmethanamine
CID 69156541
2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16559091
2-[(E)-2-(3-ethynylphenyl)ethenyl]-6-methylpyridine
CID 18763112
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine
CID 18763165
[4-bromo-2-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl] acetate
CID 69157280
[3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate
CID 174372345
2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine
CID 54485530

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate?
The IUPAC name of thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate (CID 69157838) is thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate.
What is the SMILES notation for thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate?
The canonical SMILES for thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate is Cc1cccc(C=Cc2cccc(NC(=O)Oc3cccs3)c2)n1.
What is the InChIKey of thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate?
The InChIKey is BHXUDKFZIYDRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-14-5-2-7-16(20-14)11-10-15-6-3-8-17(13-15)21-19(22)23-18-9-4-12-24-18/h2-13H,1H3,(H,21,22).
What are the key properties of thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate?
thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate has a molecular weight of 336.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate is sourced from PubChem (CID 69157838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).