N,N-dimethyl-2-benzothiophene-5-carboxamide

C11H11NOS — CID 174850919

IUPACN,N-dimethyl-2-benzothiophene-5-carboxamide
SMILESCN(C)C(=O)c1ccc2cscc2c1
InChIInChI=1S/C11H11NOS/c1-12(2)11(13)8-3-4-9-6-14-7-10(9)5-8/h3-7H,1-2H3
InChIKeyNYVOKDJBPVSZKS-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.60
Rot. Bonds1

About N,N-dimethyl-2-benzothiophene-5-carboxamide

N,N-dimethyl-2-benzothiophene-5-carboxamide (PubChem CID 174850919) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is N,N-dimethyl-2-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-benzothiophene-5-carboxamide
PubChem CID174850919
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC NameN,N-dimethyl-2-benzothiophene-5-carboxamide
SMILESCN(C)C(=O)c1ccc2cscc2c1
InChIInChI=1S/C11H11NOS/c1-12(2)11(13)8-3-4-9-6-14-7-10(9)5-8/h3-7H,1-2H3
InChIKeyNYVOKDJBPVSZKS-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-benzothiophene-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-benzothiophene-5-carboxamide (CID 174850919) is N,N-dimethyl-2-benzothiophene-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-benzothiophene-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-benzothiophene-5-carboxamide is CN(C)C(=O)c1ccc2cscc2c1.
What is the InChIKey of N,N-dimethyl-2-benzothiophene-5-carboxamide?
The InChIKey is NYVOKDJBPVSZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-12(2)11(13)8-3-4-9-6-14-7-10(9)5-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-2-benzothiophene-5-carboxamide?
N,N-dimethyl-2-benzothiophene-5-carboxamide has a molecular weight of 205.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-benzothiophene-5-carboxamide is sourced from PubChem (CID 174850919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).