N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H21NOS — CID 166187272

IUPACN-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)N(C)c1cccc(C)c1C)C2
InChIInChI=1S/C19H21NOS/c1-12-8-9-15-11-18(22-17(15)10-12)19(21)20(4)16-7-5-6-13(2)14(16)3/h5-10,18H,11H2,1-4H3
InChIKeyQJTNDHRSGJCOMA-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.29
Rot. Bonds2

About N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 166187272) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID166187272
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)N(C)c1cccc(C)c1C)C2
InChIInChI=1S/C19H21NOS/c1-12-8-9-15-11-18(22-17(15)10-12)19(21)20(4)16-7-5-6-13(2)14(16)3/h5-10,18H,11H2,1-4H3
InChIKeyQJTNDHRSGJCOMA-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 166187272) is N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc2c(c1)SC(C(=O)N(C)c1cccc(C)c1C)C2.
What is the InChIKey of N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is QJTNDHRSGJCOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-12-8-9-15-11-18(22-17(15)10-12)19(21)20(4)16-7-5-6-13(2)14(16)3/h5-10,18H,11H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 166187272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).