2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide

C15H22N2OS — CID 62843352

IUPAC2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC(C)c1ccsc1
InChIInChI=1S/C15H22N2OS/c1-4-7-15(11-16,8-5-2)14(18)17-12(3)13-6-9-19-10-13/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyRKWGLLZBPRLXHA-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.04
Rot. Bonds7

About 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide

2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide (PubChem CID 62843352) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide.

Molecular Properties

Compound Name2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide
PubChem CID62843352
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC(C)c1ccsc1
InChIInChI=1S/C15H22N2OS/c1-4-7-15(11-16,8-5-2)14(18)17-12(3)13-6-9-19-10-13/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyRKWGLLZBPRLXHA-UHFFFAOYSA-N
XLogP4.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 62843561
2-methyl-2-(methylamino)-N-(1-thiophen-3-ylethyl)propanamide
CID 62843521
2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
CID 79812220
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
CID 66353300
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62844569
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 62843528

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide?
The IUPAC name of 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide (CID 62843352) is 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide.
What is the SMILES notation for 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide?
The canonical SMILES for 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide is CCCC(C#N)(CCC)C(=O)NC(C)c1ccsc1.
What is the InChIKey of 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide?
The InChIKey is RKWGLLZBPRLXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-7-15(11-16,8-5-2)14(18)17-12(3)13-6-9-19-10-13/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide?
2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide has a molecular weight of 278.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide is sourced from PubChem (CID 62843352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).