2,5-dichloro-N,N-dipropylthiophene-3-carboxamide

C11H15Cl2NOS — CID 86910277

IUPAC2,5-dichloro-N,N-dipropylthiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-5-14(6-4-2)11(15)8-7-9(12)16-10(8)13/h7H,3-6H2,1-2H3
InChIKeyWGWOAUYPXIJIHG-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.32
Rot. Bonds5

About 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide

2,5-dichloro-N,N-dipropylthiophene-3-carboxamide (PubChem CID 86910277) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N,N-dipropylthiophene-3-carboxamide
PubChem CID86910277
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name2,5-dichloro-N,N-dipropylthiophene-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-5-14(6-4-2)11(15)8-7-9(12)16-10(8)13/h7H,3-6H2,1-2H3
InChIKeyWGWOAUYPXIJIHG-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide (CID 86910277) is 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide is CCCN(CCC)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide?
The InChIKey is WGWOAUYPXIJIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-3-5-14(6-4-2)11(15)8-7-9(12)16-10(8)13/h7H,3-6H2,1-2H3.
What are the key properties of 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide?
2,5-dichloro-N,N-dipropylthiophene-3-carboxamide has a molecular weight of 280.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N,N-dipropylthiophene-3-carboxamide is sourced from PubChem (CID 86910277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).