3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide

C15H20N2O3S — CID 81302007

IUPAC3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CCO)C(=O)c1sc2cc(OC)ccc2c1N
InChIInChI=1S/C15H20N2O3S/c1-3-6-17(7-8-18)15(19)14-13(16)11-5-4-10(20-2)9-12(11)21-14/h4-5,9,18H,3,6-8,16H2,1-2H3
InChIKeyJQASOGKEXBRCLQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.34
Rot. Bonds6

About 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide

3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide (PubChem CID 81302007) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide
PubChem CID81302007
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CCO)C(=O)c1sc2cc(OC)ccc2c1N
InChIInChI=1S/C15H20N2O3S/c1-3-6-17(7-8-18)15(19)14-13(16)11-5-4-10(20-2)9-12(11)21-14/h4-5,9,18H,3,6-8,16H2,1-2H3
InChIKeyJQASOGKEXBRCLQ-UHFFFAOYSA-N
XLogP2.34
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 81301398
3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
CID 114907680
3-amino-N,N-bis(cyanomethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300692
3-amino-6-bromo-N-ethyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 114907804
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
3-amino-N-butyl-N-(2-hydroxyethyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932257
3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 113241711
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674329
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
3-amino-6-bromo-N-butyl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907690
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301247
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide (CID 81302007) is 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide is CCCN(CCO)C(=O)c1sc2cc(OC)ccc2c1N.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is JQASOGKEXBRCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-6-17(7-8-18)15(19)14-13(16)11-5-4-10(20-2)9-12(11)21-14/h4-5,9,18H,3,6-8,16H2,1-2H3.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide?
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81302007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).