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

C17H24N2OS — CID 79214070

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCNC1CCC(N(C)C(=O)C2Cc3ccccc3S2)CC1
InChIInChI=1S/C17H24N2OS/c1-18-13-7-9-14(10-8-13)19(2)17(20)16-11-12-5-3-4-6-15(12)21-16/h3-6,13-14,16,18H,7-11H2,1-2H3
InChIKeyVCEGUUFWXRAHBM-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.69
Rot. Bonds3

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

N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 79214070) 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-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID79214070
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCNC1CCC(N(C)C(=O)C2Cc3ccccc3S2)CC1
InChIInChI=1S/C17H24N2OS/c1-18-13-7-9-14(10-8-13)19(2)17(20)16-11-12-5-3-4-6-15(12)21-16/h3-6,13-14,16,18H,7-11H2,1-2H3
InChIKeyVCEGUUFWXRAHBM-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 79214070) is N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CNC1CCC(N(C)C(=O)C2Cc3ccccc3S2)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is VCEGUUFWXRAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-18-13-7-9-14(10-8-13)19(2)17(20)16-11-12-5-3-4-6-15(12)21-16/h3-6,13-14,16,18H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 2.69, 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-2-carboxamide is sourced from PubChem (CID 79214070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).