N,N-diethylthiophene-2-carboxamide

C9H13NOS — CID 962897

IUPACN,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccs1
InChIInChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-6-5-7-12-8/h5-7H,3-4H2,1-2H3
InChIKeyWCCLKHNWHBFKDF-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.23
Rot. Bonds3

About N,N-diethylthiophene-2-carboxamide

N,N-diethylthiophene-2-carboxamide (PubChem CID 962897) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N,N-diethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethylthiophene-2-carboxamide
PubChem CID962897
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccs1
InChIInChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-6-5-7-12-8/h5-7H,3-4H2,1-2H3
InChIKeyWCCLKHNWHBFKDF-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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Related Compounds

CID 69259223
CID 69259223
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
3-deuterio-N,N-diethylthiophene-2-carboxamide
CID 134976041
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245

Frequently Asked Questions

What is the IUPAC name of N,N-diethylthiophene-2-carboxamide?
The IUPAC name of N,N-diethylthiophene-2-carboxamide (CID 962897) is N,N-diethylthiophene-2-carboxamide.
What is the SMILES notation for N,N-diethylthiophene-2-carboxamide?
The canonical SMILES for N,N-diethylthiophene-2-carboxamide is CCN(CC)C(=O)c1cccs1.
What is the InChIKey of N,N-diethylthiophene-2-carboxamide?
The InChIKey is WCCLKHNWHBFKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-6-5-7-12-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethylthiophene-2-carboxamide?
N,N-diethylthiophene-2-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-2-carboxamide is sourced from PubChem (CID 962897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).