N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide

C19H22F2N2OS — CID 51446250

IUPACN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2OS/c20-16-6-5-14(11-17(16)21)19(24)22-12-18(15-7-10-25-13-15)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,24)/t18-/m0/s1
InChIKeyHETOAMDALXHPFY-SFHVURJKSA-N
MW364.46 g/mol
LogP4.37
Rot. Bonds5

About N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide

N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide (PubChem CID 51446250) has the molecular formula C19H22F2N2OS and a molecular weight of 364.46 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
PubChem CID51446250
Molecular FormulaC19H22F2N2OS
Molecular Weight364.46 g/mol
Exact Mass364.14
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2OS/c20-16-6-5-14(11-17(16)21)19(24)22-12-18(15-7-10-25-13-15)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,24)/t18-/m0/s1
InChIKeyHETOAMDALXHPFY-SFHVURJKSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide
CID 16931867
3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931298
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide (CID 51446250) is N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide is O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide?
The InChIKey is HETOAMDALXHPFY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F2N2OS/c20-16-6-5-14(11-17(16)21)19(24)22-12-18(15-7-10-25-13-15)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide?
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide has a molecular weight of 364.46 g/mol, XLogP of 4.37, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 51446250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).