3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide

C14H15Cl2NO2S — CID 35561731

IUPAC3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C14H15Cl2NO2S/c1-2-19-8-4-7-17-14(18)13-12(16)11-9(15)5-3-6-10(11)20-13/h3,5-6H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyBNMFSRPJNWBMKT-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.36
Rot. Bonds6

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

3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide (PubChem CID 35561731) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide
PubChem CID35561731
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C14H15Cl2NO2S/c1-2-19-8-4-7-17-14(18)13-12(16)11-9(15)5-3-6-10(11)20-13/h3,5-6H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyBNMFSRPJNWBMKT-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 39854884
3-amino-4-bromo-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide
CID 114888910
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
CID 106241425
3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 35141026
3,4-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 17070342
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
CID 60580427
ethyl N-[2-[(3,4,6-trichloro-1-benzothiophene-2-carbonyl)amino]ethyl]carbamate
CID 56558671
3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide
CID 2931377
3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
methyl 4-[(3,4,6-trichloro-1-benzothiophene-2-carbonyl)amino]butanoate
CID 112794771
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide (CID 35561731) is 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide is CCOCCCNC(=O)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BNMFSRPJNWBMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S/c1-2-19-8-4-7-17-14(18)13-12(16)11-9(15)5-3-6-10(11)20-13/h3,5-6H,2,4,7-8H2,1H3,(H,17,18).
What are the key properties of 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 332.25 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35561731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).