N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C22H28N2OS — CID 24640251

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2Cc3ccc(C)cc3S2)N(C)C)cc1
InChIInChI=1S/C22H28N2OS/c1-5-16-7-10-17(11-8-16)19(24(3)4)14-23-22(25)21-13-18-9-6-15(2)12-20(18)26-21/h6-12,19,21H,5,13-14H2,1-4H3,(H,23,25)
InChIKeyGQAMGHGDLNVEQH-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24640251) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24640251
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCc1ccc(C(CNC(=O)C2Cc3ccc(C)cc3S2)N(C)C)cc1
InChIInChI=1S/C22H28N2OS/c1-5-16-7-10-17(11-8-16)19(24(3)4)14-23-22(25)21-13-18-9-6-15(2)12-20(18)26-21/h6-12,19,21H,5,13-14H2,1-4H3,(H,23,25)
InChIKeyGQAMGHGDLNVEQH-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25487612
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24595779
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
CID 39951386
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 24528872
6-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24633461
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39961035
N-[1-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112764524
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24640251) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is CCc1ccc(C(CNC(=O)C2Cc3ccc(C)cc3S2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is GQAMGHGDLNVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-5-16-7-10-17(11-8-16)19(24(3)4)14-23-22(25)21-13-18-9-6-15(2)12-20(18)26-21/h6-12,19,21H,5,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 368.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24640251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).