3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide

C16H22N2OS — CID 107932169

IUPAC3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCN(C)C(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H22N2OS/c1-4-5-6-9-18(3)16(19)15-14(17)12-10-11(2)7-8-13(12)20-15/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyDPOVCFVEMAWFAI-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.05
Rot. Bonds5

About 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide

3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide (PubChem CID 107932169) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide
PubChem CID107932169
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide
SMILESCCCCCN(C)C(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H22N2OS/c1-4-5-6-9-18(3)16(19)15-14(17)12-10-11(2)7-8-13(12)20-15/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyDPOVCFVEMAWFAI-UHFFFAOYSA-N
XLogP4.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.05
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-amino-N-butyl-N-(2-hydroxyethyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932257
3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide
CID 107932282
3-amino-N,5-dimethyl-N-(2-methylprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932556
3-amino-5-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932072
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932442
3-amino-4-fluoro-N-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 79512263
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-6-bromo-N-(5-hydroxypentyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 107207352
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 107932610

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide (CID 107932169) is 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide is CCCCCN(C)C(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide?
The InChIKey is DPOVCFVEMAWFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-5-6-9-18(3)16(19)15-14(17)12-10-11(2)7-8-13(12)20-15/h7-8,10H,4-6,9,17H2,1-3H3.
What are the key properties of 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide?
3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).