3-deuterio-N,N-diethylthiophene-2-carboxamide

C9H13NOS — CID 134976041

IUPAC3-deuterio-N,N-diethylthiophene-2-carboxamide
SMILES[2H]c1ccsc1C(=O)N(CC)CC
InChIInChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-6-5-7-12-8/h5-7H,3-4H2,1-2H3/i6D
InChIKeyWCCLKHNWHBFKDF-RAMDWTOOSA-N
MW184.28 g/mol
LogP2.23
Rot. Bonds3

About 3-deuterio-N,N-diethylthiophene-2-carboxamide

3-deuterio-N,N-diethylthiophene-2-carboxamide (PubChem CID 134976041) has the molecular formula C9H13NOS and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-deuterio-N,N-diethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-deuterio-N,N-diethylthiophene-2-carboxamide
PubChem CID134976041
Molecular FormulaC9H13NOS
Molecular Weight184.28 g/mol
Exact Mass184.08
IUPAC Name3-deuterio-N,N-diethylthiophene-2-carboxamide
SMILES[2H]c1ccsc1C(=O)N(CC)CC
InChIInChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-6-5-7-12-8/h5-7H,3-4H2,1-2H3/i6D
InChIKeyWCCLKHNWHBFKDF-RAMDWTOOSA-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 ≤ 500184.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-ethyl-N-hexadecylthiophene-2-carboxamide
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2,6-dideuterio-N,N-diethyl-4-methylbenzamide
CID 24798842
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
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 3-deuterio-N,N-diethylthiophene-2-carboxamide?
The IUPAC name of 3-deuterio-N,N-diethylthiophene-2-carboxamide (CID 134976041) is 3-deuterio-N,N-diethylthiophene-2-carboxamide.
What is the SMILES notation for 3-deuterio-N,N-diethylthiophene-2-carboxamide?
The canonical SMILES for 3-deuterio-N,N-diethylthiophene-2-carboxamide is [2H]c1ccsc1C(=O)N(CC)CC.
What is the InChIKey of 3-deuterio-N,N-diethylthiophene-2-carboxamide?
The InChIKey is WCCLKHNWHBFKDF-RAMDWTOOSA-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/i6D.
What are the key properties of 3-deuterio-N,N-diethylthiophene-2-carboxamide?
3-deuterio-N,N-diethylthiophene-2-carboxamide has a molecular weight of 184.28 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 3-deuterio-N,N-diethylthiophene-2-carboxamide is sourced from PubChem (CID 134976041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).