N,N-diethylthiophene-3-carboxamide

C9H13NOS — CID 11389776

IUPACN,N-diethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccsc1
InChIInChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-5-6-12-7-8/h5-7H,3-4H2,1-2H3
InChIKeyDMGZZYONMSPHOF-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.23
Rot. Bonds3

About N,N-diethylthiophene-3-carboxamide

N,N-diethylthiophene-3-carboxamide (PubChem CID 11389776) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N,N-diethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethylthiophene-3-carboxamide
PubChem CID11389776
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN,N-diethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccsc1
InChIInChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-5-6-12-7-8/h5-7H,3-4H2,1-2H3
InChIKeyDMGZZYONMSPHOF-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylthiophene-3-carboxamide?
The IUPAC name of N,N-diethylthiophene-3-carboxamide (CID 11389776) is N,N-diethylthiophene-3-carboxamide.
What is the SMILES notation for N,N-diethylthiophene-3-carboxamide?
The canonical SMILES for N,N-diethylthiophene-3-carboxamide is CCN(CC)C(=O)c1ccsc1.
What is the InChIKey of N,N-diethylthiophene-3-carboxamide?
The InChIKey is DMGZZYONMSPHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-5-6-12-7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethylthiophene-3-carboxamide?
N,N-diethylthiophene-3-carboxamide has a molecular weight of 183.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylthiophene-3-carboxamide is sourced from PubChem (CID 11389776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).