N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide

C14H17NO2S — CID 10515700

IUPACN,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2sccc2c1OC
InChIInChI=1S/C14H17NO2S/c1-4-15(5-2)14(16)11-6-7-12-10(8-9-18-12)13(11)17-3/h6-9H,4-5H2,1-3H3
InChIKeyQSPSUSTXECJXHD-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.39
Rot. Bonds4

About N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide

N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide (PubChem CID 10515700) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide
PubChem CID10515700
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2sccc2c1OC
InChIInChI=1S/C14H17NO2S/c1-4-15(5-2)14(16)11-6-7-12-10(8-9-18-12)13(11)17-3/h6-9H,4-5H2,1-3H3
InChIKeyQSPSUSTXECJXHD-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide?
The IUPAC name of N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide (CID 10515700) is N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide is CCN(CC)C(=O)c1ccc2sccc2c1OC.
What is the InChIKey of N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide?
The InChIKey is QSPSUSTXECJXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-4-15(5-2)14(16)11-6-7-12-10(8-9-18-12)13(11)17-3/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide?
N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 10515700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).