5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide

C18H18N2OS — CID 156907291

IUPAC5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N[C@H](C)c1csc2ccccc12
InChIInChI=1S/C18H18N2OS/c1-11-7-8-13(19)9-15(11)18(21)20-12(2)16-10-22-17-6-4-3-5-14(16)17/h3-10,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyGUFDRRDJJRKZOL-GFCCVEGCSA-N
MW310.42 g/mol
LogP4.28
Rot. Bonds3

About 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide

5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide (PubChem CID 156907291) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide
PubChem CID156907291
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N[C@H](C)c1csc2ccccc12
InChIInChI=1S/C18H18N2OS/c1-11-7-8-13(19)9-15(11)18(21)20-12(2)16-10-22-17-6-4-3-5-14(16)17/h3-10,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyGUFDRRDJJRKZOL-GFCCVEGCSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide (CID 156907291) is 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)N[C@H](C)c1csc2ccccc12.
What is the InChIKey of 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide?
The InChIKey is GUFDRRDJJRKZOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-11-7-8-13(19)9-15(11)18(21)20-12(2)16-10-22-17-6-4-3-5-14(16)17/h3-10,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide?
5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 156907291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).