7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide

C17H24N2O2S — CID 119788149

IUPAC7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2O2S/c18-10-6-2-1-3-9-17(21)19-12-14(20)16-11-13-7-4-5-8-15(13)22-16/h4-5,7-8,11,14,20H,1-3,6,9-10,12,18H2,(H,19,21)
InChIKeyHSJPKPPQUCXWLX-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.96
Rot. Bonds9

About 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide

7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide (PubChem CID 119788149) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide
PubChem CID119788149
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2O2S/c18-10-6-2-1-3-9-17(21)19-12-14(20)16-11-13-7-4-5-8-15(13)22-16/h4-5,7-8,11,14,20H,1-3,6,9-10,12,18H2,(H,19,21)
InChIKeyHSJPKPPQUCXWLX-UHFFFAOYSA-N
XLogP2.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.96
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

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 97084278
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
CID 119788161
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
CID 97084288
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561
3-(6-aminohexanoylamino)-2-phenylpropanoic acid
CID 62883152
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110007533
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)hex-5-en-1-ol
CID 115804316

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide (CID 119788149) is 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide is NCCCCCCC(=O)NCC(O)c1cc2ccccc2s1.
What is the InChIKey of 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide?
The InChIKey is HSJPKPPQUCXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c18-10-6-2-1-3-9-17(21)19-12-14(20)16-11-13-7-4-5-8-15(13)22-16/h4-5,7-8,11,14,20H,1-3,6,9-10,12,18H2,(H,19,21).
What are the key properties of 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide?
7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide has a molecular weight of 320.46 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide is sourced from PubChem (CID 119788149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).