2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide

C14H21NO3S — CID 68937247

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(C(=O)NCCc1cccs1)C1(C)OCCO1
InChIInChI=1S/C14H21NO3S/c1-3-12(14(2)17-8-9-18-14)13(16)15-7-6-11-5-4-10-19-11/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyNDJFSSODOIDRCG-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.20
Rot. Bonds6

About 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide

2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 68937247) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID68937247
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(C(=O)NCCc1cccs1)C1(C)OCCO1
InChIInChI=1S/C14H21NO3S/c1-3-12(14(2)17-8-9-18-14)13(16)15-7-6-11-5-4-10-19-11/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyNDJFSSODOIDRCG-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide (CID 68937247) is 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide is CCC(C(=O)NCCc1cccs1)C1(C)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is NDJFSSODOIDRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-12(14(2)17-8-9-18-14)13(16)15-7-6-11-5-4-10-19-11/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide?
2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 283.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 68937247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).