2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C16H22F3N3O3S — CID 30287064

IUPAC2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C16H22F3N3O3S/c1-21(26(24,25)22-10-6-2-3-7-11-22)12-15(23)20-14-9-5-4-8-13(14)16(17,18)19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,20,23)
InChIKeyAQQDGLHPPGDHLS-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.70
Rot. Bonds5

About 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 30287064) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID30287064
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C16H22F3N3O3S/c1-21(26(24,25)22-10-6-2-3-7-11-22)12-15(23)20-14-9-5-4-8-13(14)16(17,18)19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,20,23)
InChIKeyAQQDGLHPPGDHLS-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3722785
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696935
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45374722

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 30287064) is 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AQQDGLHPPGDHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-21(26(24,25)22-10-6-2-3-7-11-22)12-15(23)20-14-9-5-4-8-13(14)16(17,18)19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,20,23).
What are the key properties of 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30287064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).