N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide

C21H16N2O3S — CID 142203090

IUPACN-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide
SMILESCC(=O)c1cc(OCc2cccs2)ccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H16N2O3S/c1-14(24)19-11-17(26-13-18-3-2-10-27-18)8-9-20(19)23-21(25)16-6-4-15(12-22)5-7-16/h2-11H,13H2,1H3,(H,23,25)
InChIKeyVEXKHGPJGFFFFS-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.65
Rot. Bonds6

About N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide

N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide (PubChem CID 142203090) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide
PubChem CID142203090
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide
SMILESCC(=O)c1cc(OCc2cccs2)ccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C21H16N2O3S/c1-14(24)19-11-17(26-13-18-3-2-10-27-18)8-9-20(19)23-21(25)16-6-4-15(12-22)5-7-16/h2-11H,13H2,1H3,(H,23,25)
InChIKeyVEXKHGPJGFFFFS-UHFFFAOYSA-N
XLogP4.65
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-cyanobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
CID 70006000
2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 70065817
2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
CID 59060335
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 56581143
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
N-(4-cyano-7-oxocyclohepta-1,3,5-trien-1-yl)-4-tetradecoxybenzamide
CID 101164201
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
N-[2,5-diethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 1441376
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
[4-[[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]carbamoyl]phenyl] acetate
CID 22291103

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide?
The IUPAC name of N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide (CID 142203090) is N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide is CC(=O)c1cc(OCc2cccs2)ccc1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide?
The InChIKey is VEXKHGPJGFFFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-14(24)19-11-17(26-13-18-3-2-10-27-18)8-9-20(19)23-21(25)16-6-4-15(12-22)5-7-16/h2-11H,13H2,1H3,(H,23,25).
What are the key properties of N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide?
N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide has a molecular weight of 376.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide is sourced from PubChem (CID 142203090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).