4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide

C13H21NO2S — CID 84558066

IUPAC4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
SMILESCc1scc(C(=O)NCCCOC(C)C)c1C
InChIInChI=1S/C13H21NO2S/c1-9(2)16-7-5-6-14-13(15)12-8-17-11(4)10(12)3/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyZXPUCLZDXNUJSL-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.91
Rot. Bonds6

About 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide

4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide (PubChem CID 84558066) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
PubChem CID84558066
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
SMILESCc1scc(C(=O)NCCCOC(C)C)c1C
InChIInChI=1S/C13H21NO2S/c1-9(2)16-7-5-6-14-13(15)12-8-17-11(4)10(12)3/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyZXPUCLZDXNUJSL-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide
CID 84557984
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 118762672
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
2-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 66388359

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide (CID 84558066) is 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide is Cc1scc(C(=O)NCCCOC(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide?
The InChIKey is ZXPUCLZDXNUJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9(2)16-7-5-6-14-13(15)12-8-17-11(4)10(12)3/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide?
4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 84558066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).