2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide

C14H20N2OS — CID 115188496

IUPAC2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
SMILESCCC(C#N)C(=O)NCC(C)(C)c1sccc1C
InChIInChI=1S/C14H20N2OS/c1-5-11(8-15)13(17)16-9-14(3,4)12-10(2)6-7-18-12/h6-7,11H,5,9H2,1-4H3,(H,16,17)
InChIKeyDURPQNWOKHLYOR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.00
Rot. Bonds5

About 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide

2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide (PubChem CID 115188496) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
PubChem CID115188496
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
SMILESCCC(C#N)C(=O)NCC(C)(C)c1sccc1C
InChIInChI=1S/C14H20N2OS/c1-5-11(8-15)13(17)16-9-14(3,4)12-10(2)6-7-18-12/h6-7,11H,5,9H2,1-4H3,(H,16,17)
InChIKeyDURPQNWOKHLYOR-UHFFFAOYSA-N
XLogP3.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide
CID 115188479
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115155557
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55208431
2-cyano-N-(2-phenylethyl)butanamide
CID 55207760
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
N-[2-(4-bromophenyl)ethyl]-2-cyanobutanamide
CID 115188383
N-(1-benzothiophen-3-ylmethyl)-2-cyanobutanamide
CID 115188332
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
The IUPAC name of 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide (CID 115188496) is 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide.
What is the SMILES notation for 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
The canonical SMILES for 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide is CCC(C#N)C(=O)NCC(C)(C)c1sccc1C.
What is the InChIKey of 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
The InChIKey is DURPQNWOKHLYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-5-11(8-15)13(17)16-9-14(3,4)12-10(2)6-7-18-12/h6-7,11H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide?
2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide has a molecular weight of 264.39 g/mol, XLogP of 3.00, 5 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-(3-methylthiophen-2-yl)propyl]butanamide is sourced from PubChem (CID 115188496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).