N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide

C17H22N2OS — CID 65242293

IUPACN-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc3sccc3c2)CCCCC1
InChIInChI=1S/C17H22N2OS/c1-18-17(8-3-2-4-9-17)12-16(20)19-14-5-6-15-13(11-14)7-10-21-15/h5-7,10-11,18H,2-4,8-9,12H2,1H3,(H,19,20)
InChIKeyGNFPMUBIPOKAPY-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.15
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65242293) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65242293
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc3sccc3c2)CCCCC1
InChIInChI=1S/C17H22N2OS/c1-18-17(8-3-2-4-9-17)12-16(20)19-14-5-6-15-13(11-14)7-10-21-15/h5-7,10-11,18H,2-4,8-9,12H2,1H3,(H,19,20)
InChIKeyGNFPMUBIPOKAPY-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240820
N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242628
1-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclopentane-1-carboxamide
CID 81489454
N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240524
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
5-(1-benzothiophen-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62935420
N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
CID 63130559
N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide
CID 60866896
N-(1-benzothiophen-5-yl)-2-(5-chlorothiophen-2-yl)acetamide
CID 41340494
N-(1-benzothiophen-5-yl)-2-naphthalen-1-ylacetamide
CID 23791200
N-(1-benzothiophen-5-yl)-4-cyanooxane-4-carboxamide
CID 63902692

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65242293) is N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)Nc2ccc3sccc3c2)CCCCC1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is GNFPMUBIPOKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-18-17(8-3-2-4-9-17)12-16(20)19-14-5-6-15-13(11-14)7-10-21-15/h5-7,10-11,18H,2-4,8-9,12H2,1H3,(H,19,20).
What are the key properties of N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65242293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).