propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate

C19H21FN2O5S — CID 56550971

IUPACpropan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(=O)OC(C)C
InChIInChI=1S/C19H21FN2O5S/c1-12(2)27-18(23)11-21-19(24)15-10-14(9-8-13(15)3)28(25,26)22-17-7-5-4-6-16(17)20/h4-10,12,22H,11H2,1-3H3,(H,21,24)
InChIKeyQDKGZUQVZGLDHS-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.62
Rot. Bonds7

About propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate

propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate (PubChem CID 56550971) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
PubChem CID56550971
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Namepropan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(=O)OC(C)C
InChIInChI=1S/C19H21FN2O5S/c1-12(2)27-18(23)11-21-19(24)15-10-14(9-8-13(15)3)28(25,26)22-17-7-5-4-6-16(17)20/h4-10,12,22H,11H2,1-3H3,(H,21,24)
InChIKeyQDKGZUQVZGLDHS-UHFFFAOYSA-N
XLogP2.62
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate 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

propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55869937
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43006754
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31166045
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate (CID 56550971) is propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
The InChIKey is QDKGZUQVZGLDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-12(2)27-18(23)11-21-19(24)15-10-14(9-8-13(15)3)28(25,26)22-17-7-5-4-6-16(17)20/h4-10,12,22H,11H2,1-3H3,(H,21,24).
What are the key properties of propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate has a molecular weight of 408.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate is sourced from PubChem (CID 56550971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).