tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate

C14H20FN3O5S — CID 10808548

IUPACtert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C14H20FN3O5S/c1-14(2,3)23-13(20)18(4)8-12(19)17-11-6-5-9(7-10(11)15)24(16,21)22/h5-7H,8H2,1-4H3,(H,17,19)(H2,16,21,22)
InChIKeyLHXNDYYUOFWNBX-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate

tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 10808548) has the molecular formula C14H20FN3O5S and a molecular weight of 361.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
PubChem CID10808548
Molecular FormulaC14H20FN3O5S
Molecular Weight361.40 g/mol
Exact Mass361.11
IUPAC Nametert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C14H20FN3O5S/c1-14(2,3)23-13(20)18(4)8-12(19)17-11-6-5-9(7-10(11)15)24(16,21)22/h5-7H,8H2,1-4H3,(H,17,19)(H2,16,21,22)
InChIKeyLHXNDYYUOFWNBX-UHFFFAOYSA-N
XLogP1.28
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate 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-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
tert-butyl N-[4-(2-fluoro-4-methylanilino)-4-oxobutyl]-N-methylcarbamate
CID 47082010
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
CID 106145750
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate
CID 10548997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate (CID 10808548) is tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate is CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is LHXNDYYUOFWNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O5S/c1-14(2,3)23-13(20)18(4)8-12(19)17-11-6-5-9(7-10(11)15)24(16,21)22/h5-7H,8H2,1-4H3,(H,17,19)(H2,16,21,22).
What are the key properties of tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate?
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 361.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 10808548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).