N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide

C18H12N2O2S — CID 7192379

IUPACN-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
SMILESN#Cc1ccsc1NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H12N2O2S/c19-12-13-10-11-23-18(13)20-17(21)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-11H,(H,20,21)
InChIKeyMTPWOAUITUKKGK-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.66
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide

N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide (PubChem CID 7192379) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
PubChem CID7192379
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC NameN-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
SMILESN#Cc1ccsc1NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H12N2O2S/c19-12-13-10-11-23-18(13)20-17(21)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-11H,(H,20,21)
InChIKeyMTPWOAUITUKKGK-UHFFFAOYSA-N
XLogP4.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
CID 1150855
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
2-phenoxy-N-phenylbenzamide
CID 3402306
N-(3-cyanothiophen-2-yl)-1H-indole-3-carboxamide
CID 60659752
N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
CID 26187236
2-amino-N-(3-cyanothiophen-2-yl)-5-methoxybenzamide
CID 61118422
N-(4-cyano-2,3-dihydrofuran-5-yl)-2-phenoxybenzamide
CID 7655952
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide (CID 7192379) is N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide is N#Cc1ccsc1NC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide?
The InChIKey is MTPWOAUITUKKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c19-12-13-10-11-23-18(13)20-17(21)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-11H,(H,20,21).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide?
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide has a molecular weight of 320.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide is sourced from PubChem (CID 7192379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).