N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide

C22H29FN2OS — CID 66993904

IUPACN-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide
SMILESCN(C)C(c1cccs1)C1CCC(CCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H29FN2OS/c1-25(2)21(20-4-3-15-27-20)17-7-5-16(6-8-17)13-14-24-22(26)18-9-11-19(23)12-10-18/h3-4,9-12,15-17,21H,5-8,13-14H2,1-2H3,(H,24,26)
InChIKeySDOLHFUXAXRGCC-UHFFFAOYSA-N
MW388.55 g/mol
LogP5.12
Rot. Bonds7

About N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide

N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide (PubChem CID 66993904) has the molecular formula C22H29FN2OS and a molecular weight of 388.55 g/mol. Its IUPAC name is N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide
PubChem CID66993904
Molecular FormulaC22H29FN2OS
Molecular Weight388.55 g/mol
Exact Mass388.20
IUPAC NameN-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide
SMILESCN(C)C(c1cccs1)C1CCC(CCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H29FN2OS/c1-25(2)21(20-4-3-15-27-20)17-7-5-16(6-8-17)13-14-24-22(26)18-9-11-19(23)12-10-18/h3-4,9-12,15-17,21H,5-8,13-14H2,1-2H3,(H,24,26)
InChIKeySDOLHFUXAXRGCC-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 66994303
1-[4-(aminomethyl)cyclohexyl]-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 24739735
N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-1-benzothiophene-3-carboxamide
CID 91537731
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
1-cyclohexyl-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 68703727
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
CID 66994456
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[2-[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]ethyl]acetamide
CID 66703293

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide (CID 66993904) is N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide is CN(C)C(c1cccs1)C1CCC(CCNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide?
The InChIKey is SDOLHFUXAXRGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2OS/c1-25(2)21(20-4-3-15-27-20)17-7-5-16(6-8-17)13-14-24-22(26)18-9-11-19(23)12-10-18/h3-4,9-12,15-17,21H,5-8,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide?
N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide has a molecular weight of 388.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 66993904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).