N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide

C14H20N2OS — CID 54979623

IUPACN-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CCCc1cccs1
InChIInChI=1S/C14H20N2OS/c1-3-16(11-12(2)10-15)14(17)8-4-6-13-7-5-9-18-13/h5,7,9,12H,3-4,6,8,11H2,1-2H3
InChIKeyDWCJRWXGEIONPP-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.08
Rot. Bonds7

About N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide

N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide (PubChem CID 54979623) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
PubChem CID54979623
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CCCc1cccs1
InChIInChI=1S/C14H20N2OS/c1-3-16(11-12(2)10-15)14(17)8-4-6-13-7-5-9-18-13/h5,7,9,12H,3-4,6,8,11H2,1-2H3
InChIKeyDWCJRWXGEIONPP-UHFFFAOYSA-N
XLogP3.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 94649725
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
CID 55135864
N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
CID 78854172
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
CID 55123769
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide (CID 54979623) is N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide is CCN(CC(C)C#N)C(=O)CCCc1cccs1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide?
The InChIKey is DWCJRWXGEIONPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-16(11-12(2)10-15)14(17)8-4-6-13-7-5-9-18-13/h5,7,9,12H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide?
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide has a molecular weight of 264.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 54979623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).