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

C19H22F2N2OS — CID 16931867

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2OS/c20-15-5-6-16(17(21)11-15)19(24)22-12-18(14-7-10-25-13-14)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,24)
InChIKeyGEOPUGJAKQDWQR-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.37
Rot. Bonds5

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

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide (PubChem CID 16931867) has the molecular formula C19H22F2N2OS and a molecular weight of 364.46 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide
PubChem CID16931867
Molecular FormulaC19H22F2N2OS
Molecular Weight364.46 g/mol
Exact Mass364.14
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2OS/c20-15-5-6-16(17(21)11-15)19(24)22-12-18(14-7-10-25-13-14)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,24)
InChIKeyGEOPUGJAKQDWQR-UHFFFAOYSA-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

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,4-difluorophenyl)oxamide
CID 16932562
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
2,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 51186577
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
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931575
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40858311
[2-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]carbamoyl]phenyl] acetate
CID 16931836
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide (CID 16931867) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide is O=C(NCC(c1ccsc1)N1CCCCCC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide?
The InChIKey is GEOPUGJAKQDWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2OS/c20-15-5-6-16(17(21)11-15)19(24)22-12-18(14-7-10-25-13-14)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-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-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 16931867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).