4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide

C13H21NOS — CID 84556489

IUPAC4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1csc(C)c1C
InChIInChI=1S/C13H21NOS/c1-5-7-14(8-6-2)13(15)12-9-16-11(4)10(12)3/h9H,5-8H2,1-4H3
InChIKeyANYBRGCWPMPJDH-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.63
Rot. Bonds5

About 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide

4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide (PubChem CID 84556489) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide
PubChem CID84556489
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1csc(C)c1C
InChIInChI=1S/C13H21NOS/c1-5-7-14(8-6-2)13(15)12-9-16-11(4)10(12)3/h9H,5-8H2,1-4H3
InChIKeyANYBRGCWPMPJDH-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide (CID 84556489) is 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide is CCCN(CCC)C(=O)c1csc(C)c1C.
What is the InChIKey of 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide?
The InChIKey is ANYBRGCWPMPJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-5-7-14(8-6-2)13(15)12-9-16-11(4)10(12)3/h9H,5-8H2,1-4H3.
What are the key properties of 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide?
4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide is sourced from PubChem (CID 84556489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).