2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H24N2OS — CID 64774325

IUPAC2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(N)sc2c1C(C)CC(C)C2
InChIInChI=1S/C15H24N2OS/c1-5-17(6-2)15(18)13-12-10(4)7-9(3)8-11(12)19-14(13)16/h9-10H,5-8,16H2,1-4H3
InChIKeyFYDMCABCMMDILD-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.50
Rot. Bonds3

About 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 64774325) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID64774325
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(N)sc2c1C(C)CC(C)C2
InChIInChI=1S/C15H24N2OS/c1-5-17(6-2)15(18)13-12-10(4)7-9(3)8-11(12)19-14(13)16/h9-10H,5-8,16H2,1-4H3
InChIKeyFYDMCABCMMDILD-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 64774325) is 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCN(CC)C(=O)c1c(N)sc2c1C(C)CC(C)C2.
What is the InChIKey of 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is FYDMCABCMMDILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-17(6-2)15(18)13-12-10(4)7-9(3)8-11(12)19-14(13)16/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 64774325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).