2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide

C17H26N2OS — CID 80526849

IUPAC2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C17H26N2OS/c1-5-9-17(12-18,10-6-2)15(20)19-13-16(3,4)14-8-7-11-21-14/h7-8,11H,5-6,9-10,13H2,1-4H3,(H,19,20)
InChIKeyUTBYYPCXXCEOEB-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.25
Rot. Bonds8

About 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide

2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide (PubChem CID 80526849) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
PubChem CID80526849
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C17H26N2OS/c1-5-9-17(12-18,10-6-2)15(20)19-13-16(3,4)14-8-7-11-21-14/h7-8,11H,5-6,9-10,13H2,1-4H3,(H,19,20)
InChIKeyUTBYYPCXXCEOEB-UHFFFAOYSA-N
XLogP4.25
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-carbamothioyl-2-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 80527462
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 115627643
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
CID 113236235
4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
CID 80526850
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111485911
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
2-methyl-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527697

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide (CID 80526849) is 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide?
The InChIKey is UTBYYPCXXCEOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-5-9-17(12-18,10-6-2)15(20)19-13-16(3,4)14-8-7-11-21-14/h7-8,11H,5-6,9-10,13H2,1-4H3,(H,19,20).
What are the key properties of 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide?
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide has a molecular weight of 306.47 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide is sourced from PubChem (CID 80526849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).