N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

C18H28FN3O4S — CID 55605684

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F
InChIInChI=1S/C18H28FN3O4S/c1-7-22(11-16(23)20-18(4,5)6)17(24)14-10-13(8-9-15(14)19)27(25,26)21-12(2)3/h8-10,12,21H,7,11H2,1-6H3,(H,20,23)
InChIKeyGLIRJLLDAJFTGG-UHFFFAOYSA-N
MW401.50 g/mol
LogP1.89
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55605684) has the molecular formula C18H28FN3O4S and a molecular weight of 401.50 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55605684
Molecular FormulaC18H28FN3O4S
Molecular Weight401.50 g/mol
Exact Mass401.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F
InChIInChI=1S/C18H28FN3O4S/c1-7-22(11-16(23)20-18(4,5)6)17(24)14-10-13(8-9-15(14)19)27(25,26)21-12(2)3/h8-10,12,21H,7,11H2,1-6H3,(H,20,23)
InChIKeyGLIRJLLDAJFTGG-UHFFFAOYSA-N
XLogP1.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
CID 35362085
methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580629
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
CID 31289717
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 18136198
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 90259183
N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
CID 86963141
2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56523214
[2-(tert-butylamino)-2-oxoethyl] 2-bromo-5-(propan-2-ylsulfamoyl)benzoate
CID 2498065
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 86933981

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (CID 55605684) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GLIRJLLDAJFTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O4S/c1-7-22(11-16(23)20-18(4,5)6)17(24)14-10-13(8-9-15(14)19)27(25,26)21-12(2)3/h8-10,12,21H,7,11H2,1-6H3,(H,20,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 401.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55605684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).