3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide

C14H18N2O2S — CID 107932602

IUPAC3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCOC(C)CNC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C14H18N2O2S/c1-8-4-5-11-10(6-8)12(15)13(19-11)14(17)16-7-9(2)18-3/h4-6,9H,7,15H2,1-3H3,(H,16,17)
InChIKeyJVHISUXUIJSLKH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide

3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932602) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932602
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCOC(C)CNC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C14H18N2O2S/c1-8-4-5-11-10(6-8)12(15)13(19-11)14(17)16-7-9(2)18-3/h4-6,9H,7,15H2,1-3H3,(H,16,17)
InChIKeyJVHISUXUIJSLKH-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-(1-methoxy-2-methylpropan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932523
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-5-methyl-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 107932588
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309
3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
CID 107932423

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide (CID 107932602) is 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide is COC(C)CNC(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is JVHISUXUIJSLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-4-5-11-10(6-8)12(15)13(19-11)14(17)16-7-9(2)18-3/h4-6,9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).