N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide

C16H16N2OS — CID 47161616

IUPACN-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
SMILESN#Cc1cccc(CNC(=O)CCCc2cccs2)c1
InChIInChI=1S/C16H16N2OS/c17-11-13-4-1-5-14(10-13)12-18-16(19)8-2-6-15-7-3-9-20-15/h1,3-5,7,9-10H,2,6,8,12H2,(H,18,19)
InChIKeyWTVMLWYJLQLXKW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.26
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide

N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 47161616) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID47161616
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
SMILESN#Cc1cccc(CNC(=O)CCCc2cccs2)c1
InChIInChI=1S/C16H16N2OS/c17-11-13-4-1-5-14(10-13)12-18-16(19)8-2-6-15-7-3-9-20-15/h1,3-5,7,9-10H,2,6,8,12H2,(H,18,19)
InChIKeyWTVMLWYJLQLXKW-UHFFFAOYSA-N
XLogP3.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
N-[(3-cyanophenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
CID 158626969
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide (CID 47161616) is N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide is N#Cc1cccc(CNC(=O)CCCc2cccs2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is WTVMLWYJLQLXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-11-13-4-1-5-14(10-13)12-18-16(19)8-2-6-15-7-3-9-20-15/h1,3-5,7,9-10H,2,6,8,12H2,(H,18,19).
What are the key properties of N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide?
N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 284.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 47161616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).