N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H24N2O2S — CID 55332814

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1csc2c1CCC(C)C2
InChIInChI=1S/C20H24N2O2S/c1-12-7-8-15-16(11-25-17(15)9-12)20(24)21-10-18(23)22-19-13(2)5-4-6-14(19)3/h4-6,11-12H,7-10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXNOGPPYYGJAGX-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 55332814) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID55332814
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1csc2c1CCC(C)C2
InChIInChI=1S/C20H24N2O2S/c1-12-7-8-15-16(11-25-17(15)9-12)20(24)21-10-18(23)22-19-13(2)5-4-6-14(19)3/h4-6,11-12H,7-10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXNOGPPYYGJAGX-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 55332814) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1csc2c1CCC(C)C2.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is GXNOGPPYYGJAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-12-7-8-15-16(11-25-17(15)9-12)20(24)21-10-18(23)22-19-13(2)5-4-6-14(19)3/h4-6,11-12H,7-10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 55332814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).