N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide

C19H19NO3S — CID 42091036

IUPACN-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1OCC
InChIInChI=1S/C19H19NO3S/c1-3-22-15-10-9-14(12-16(15)23-4-2)20-19(21)18-11-13-7-5-6-8-17(13)24-18/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyNSEDWQSFYRWSJZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.95
Rot. Bonds6

About N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide

N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 42091036) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID42091036
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1OCC
InChIInChI=1S/C19H19NO3S/c1-3-22-15-10-9-14(12-16(15)23-4-2)20-19(21)18-11-13-7-5-6-8-17(13)24-18/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyNSEDWQSFYRWSJZ-UHFFFAOYSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642
6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 87619661
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 27989966
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide (CID 42091036) is N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide is CCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is NSEDWQSFYRWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-3-22-15-10-9-14(12-16(15)23-4-2)20-19(21)18-11-13-7-5-6-8-17(13)24-18/h5-12H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide?
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42091036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).