N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide

C15H14N2O2S — CID 4539256

IUPACN-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-19-13-5-2-11(3-6-13)4-7-14(18)17-15-12(10-16)8-9-20-15/h2-3,5-6,8-9H,4,7H2,1H3,(H,17,18)
InChIKeyMMOKMQOXLUIRJO-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.20
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide

N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 4539256) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID4539256
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-19-13-5-2-11(3-6-13)4-7-14(18)17-15-12(10-16)8-9-20-15/h2-3,5-6,8-9H,4,7H2,1H3,(H,17,18)
InChIKeyMMOKMQOXLUIRJO-UHFFFAOYSA-N
XLogP3.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide (CID 4539256) is N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is MMOKMQOXLUIRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-13-5-2-11(3-6-13)4-7-14(18)17-15-12(10-16)8-9-20-15/h2-3,5-6,8-9H,4,7H2,1H3,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 286.36 g/mol, XLogP of 3.20, 5 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)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 4539256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).