3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide

C15H20N2O2S — CID 107323866

IUPAC3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCCCCO)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-10-5-6-11-12(9-10)20-14(13(11)16)15(19)17-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyGAGDLWIIBIKFML-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.68
Rot. Bonds6

About 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide

3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107323866) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID107323866
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCCCCO)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-10-5-6-11-12(9-10)20-14(13(11)16)15(19)17-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyGAGDLWIIBIKFML-UHFFFAOYSA-N
XLogP2.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382
3-amino-5-bromo-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107854956
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 107323848
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106174239
3-chloro-6-methyl-N-octyl-1-benzothiophene-2-carboxamide
CID 4081322
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107323888
3-chloro-6-methyl-N-undecyl-1-benzothiophene-2-carboxamide
CID 4207704
3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 66007256
3-amino-6-chloro-N-hex-5-ynyl-1-benzothiophene-2-carboxamide
CID 106215539
3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919460

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide (CID 107323866) is 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCCCCO)sc2c1.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is GAGDLWIIBIKFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-5-6-11-12(9-10)20-14(13(11)16)15(19)17-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107323866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).