N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide

C20H23F3N2OS — CID 51446238

IUPACN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2OS/c21-20(22,23)17-8-4-3-7-16(17)19(26)24-13-18(15-9-12-27-14-15)25-10-5-1-2-6-11-25/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,24,26)/t18-/m0/s1
InChIKeyYSAJSQLJZBVPHA-SFHVURJKSA-N
MW396.48 g/mol
LogP5.11
Rot. Bonds5

About N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide

N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide (PubChem CID 51446238) has the molecular formula C20H23F3N2OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide
PubChem CID51446238
Molecular FormulaC20H23F3N2OS
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2OS/c21-20(22,23)17-8-4-3-7-16(17)19(26)24-13-18(15-9-12-27-14-15)25-10-5-1-2-6-11-25/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,24,26)/t18-/m0/s1
InChIKeyYSAJSQLJZBVPHA-SFHVURJKSA-N
XLogP5.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
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CID 2729508
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
5-Phenyl-thiophene-3-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 9944605
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide (CID 51446238) is N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide is O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is YSAJSQLJZBVPHA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23F3N2OS/c21-20(22,23)17-8-4-3-7-16(17)19(26)24-13-18(15-9-12-27-14-15)25-10-5-1-2-6-11-25/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide?
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 396.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 51446238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).