N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide

C14H15F3N2O4S — CID 55809279

IUPACN-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O4S/c15-14(16,17)24(22,23)10-6-4-9(5-7-10)12(20)19-11-3-1-2-8-18-13(11)21/h4-7,11H,1-3,8H2,(H,18,21)(H,19,20)
InChIKeyLKDZEQKXGHBIMI-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.38
Rot. Bonds3

About N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide

N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55809279) has the molecular formula C14H15F3N2O4S and a molecular weight of 364.35 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55809279
Molecular FormulaC14H15F3N2O4S
Molecular Weight364.35 g/mol
Exact Mass364.07
IUPAC NameN-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O4S/c15-14(16,17)24(22,23)10-6-4-9(5-7-10)12(20)19-11-3-1-2-8-18-13(11)21/h4-7,11H,1-3,8H2,(H,18,21)(H,19,20)
InChIKeyLKDZEQKXGHBIMI-UHFFFAOYSA-N
XLogP1.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 6930830
1,1-difluoro-2-oxo-2-[(2-oxoazepan-3-yl)amino]ethanesulfonic acid
CID 88586538
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94151205
6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 56817220
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97198109
N-[(3R)-2-oxoazepan-3-yl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99613769

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide (CID 55809279) is N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide is O=C(NC1CCCCNC1=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is LKDZEQKXGHBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4S/c15-14(16,17)24(22,23)10-6-4-9(5-7-10)12(20)19-11-3-1-2-8-18-13(11)21/h4-7,11H,1-3,8H2,(H,18,21)(H,19,20).
What are the key properties of N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 364.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55809279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).