N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide

C19H19NO2S — CID 18113160

IUPACN,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-14-16-10-6-7-11-17(16)23-18(14)19(21)20(2)12-13-22-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyCYBLMJAMBHGIDL-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.36
Rot. Bonds5

About N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide

N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 18113160) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID18113160
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-14-16-10-6-7-11-17(16)23-18(14)19(21)20(2)12-13-22-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyCYBLMJAMBHGIDL-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 18120040
2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43241821
3-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 18273848
N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 78844061
3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 60537223
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
3-(3-phenoxypropoxy)-1-benzothiophene-2-carboxylic acid
CID 69121464
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 46586534
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 56534565
N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304910
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide (CID 18113160) is N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide is Cc1c(C(=O)N(C)CCOc2ccccc2)sc2ccccc12.
What is the InChIKey of N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CYBLMJAMBHGIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-14-16-10-6-7-11-17(16)23-18(14)19(21)20(2)12-13-22-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide?
N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18113160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).