2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide

Name: 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₄N₂OS — CID 55209942

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide

SMILESCCC(C#N)C(=O)NCc1ccc(C)s1

InChIInChI=1S/C11H14N2OS/c1-3-9(6-12)11(14)13-7-10-5-4-8(2)15-10/h4-5,9H,3,7H2,1-2H3,(H,13,14)

InChIKeyGTLJURGCCDYUBY-UHFFFAOYSA-N

MW222.31 g/mol

LogP2.22

Rot. Bonds4

About 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide

2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide (PubChem CID 55209942) has the molecular formula C₁₁H₁₄N₂OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name	2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
PubChem CID	55209942
Molecular Formula	C₁₁H₁₄N₂OS
Molecular Weight	222.31 g/mol
Exact Mass	222.08
IUPAC Name	2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILES	CCC(C#N)C(=O)NCc1ccc(C)s1
InChI	InChI=1S/C11H14N2OS/c1-3-9(6-12)11(14)13-7-10-5-4-8(2)15-10/h4-5,9H,3,7H2,1-2H3,(H,13,14)
InChIKey	GTLJURGCCDYUBY-UHFFFAOYSA-N
XLogP	2.22
TPSA	52.89 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.31
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?

The IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide (CID 55209942) is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide.

What is the SMILES notation for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?

The canonical SMILES for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide is CCC(C#N)C(=O)NCc1ccc(C)s1.

What is the InChIKey of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?

The InChIKey is GTLJURGCCDYUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-9(6-12)11(14)13-7-10-5-4-8(2)15-10/h4-5,9H,3,7H2,1-2H3,(H,13,14).

What are the key properties of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?

2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 222.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 55209942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 55209942 — identifiers, structure, computed properties (public domain)

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