3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide

C15H20N2O3S — CID 106311382

IUPAC3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCCOCCO)sc2c1
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-11-12(9-10)21-14(13(11)16)15(19)17-5-2-7-20-8-6-18/h3-4,9,18H,2,5-8,16H2,1H3,(H,17,19)
InChIKeyFFQPFDAKHMPFMU-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.92
Rot. Bonds7

About 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide

3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 106311382) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID106311382
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCCOCCO)sc2c1
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-11-12(9-10)21-14(13(11)16)15(19)17-5-2-7-20-8-6-18/h3-4,9,18H,2,5-8,16H2,1H3,(H,17,19)
InChIKeyFFQPFDAKHMPFMU-UHFFFAOYSA-N
XLogP1.92
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106174239
5-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 106311385
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 66007256
3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107298626
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-6-bromo-N-(3-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 114907968

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide (CID 106311382) is 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCCOCCO)sc2c1.
What is the InChIKey of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is FFQPFDAKHMPFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-3-4-11-12(9-10)21-14(13(11)16)15(19)17-5-2-7-20-8-6-18/h3-4,9,18H,2,5-8,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106311382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).