N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

C17H24N2OS — CID 79213245

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCNC1CCC(N(C)C(=O)C2CSc3ccccc32)CC1
InChIInChI=1S/C17H24N2OS/c1-18-12-7-9-13(10-8-12)19(2)17(20)15-11-21-16-6-4-3-5-14(15)16/h3-6,12-13,15,18H,7-11H2,1-2H3
InChIKeyVCOKQIKMFBZYFX-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.86
Rot. Bonds3

About N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79213245) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79213245
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCNC1CCC(N(C)C(=O)C2CSc3ccccc32)CC1
InChIInChI=1S/C17H24N2OS/c1-18-12-7-9-13(10-8-12)19(2)17(20)15-11-21-16-6-4-3-5-14(15)16/h3-6,12-13,15,18H,7-11H2,1-2H3
InChIKeyVCOKQIKMFBZYFX-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(methylamino)cyclohexyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79123084
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214070
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212817
N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213509
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211884
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119584220

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79213245) is N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is CNC1CCC(N(C)C(=O)C2CSc3ccccc32)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is VCOKQIKMFBZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-18-12-7-9-13(10-8-12)19(2)17(20)15-11-21-16-6-4-3-5-14(15)16/h3-6,12-13,15,18H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79213245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).