N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide

C14H21NO2S — CID 143467174

IUPACN-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
SMILESCON(C)C(=O)c1sc(C)c2c1CCC(C)(C)C2
InChIInChI=1S/C14H21NO2S/c1-9-11-8-14(2,3)7-6-10(11)12(18-9)13(16)15(4)17-5/h6-8H2,1-5H3
InChIKeyDFCQQKNJGDBOTL-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.20
Rot. Bonds2

About N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide

N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide (PubChem CID 143467174) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
PubChem CID143467174
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
SMILESCON(C)C(=O)c1sc(C)c2c1CCC(C)(C)C2
InChIInChI=1S/C14H21NO2S/c1-9-11-8-14(2,3)7-6-10(11)12(18-9)13(16)15(4)17-5/h6-8H2,1-5H3
InChIKeyDFCQQKNJGDBOTL-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide?
The IUPAC name of N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide (CID 143467174) is N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide is CON(C)C(=O)c1sc(C)c2c1CCC(C)(C)C2.
What is the InChIKey of N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide?
The InChIKey is DFCQQKNJGDBOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-11-8-14(2,3)7-6-10(11)12(18-9)13(16)15(4)17-5/h6-8H2,1-5H3.
What are the key properties of N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide?
N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 143467174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).