ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate

C19H22FN3O5S — CID 56557791

IUPACethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C
InChIInChI=1S/C19H22FN3O5S/c1-3-28-19(25)22-11-10-21-18(24)15-12-14(9-8-13(15)2)29(26,27)23-17-7-5-4-6-16(17)20/h4-9,12,23H,3,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNIVCOBCLPMYMMH-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.41
Rot. Bonds8

About ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate

ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate (PubChem CID 56557791) has the molecular formula C19H22FN3O5S and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
PubChem CID56557791
Molecular FormulaC19H22FN3O5S
Molecular Weight423.47 g/mol
Exact Mass423.13
IUPAC Nameethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C
InChIInChI=1S/C19H22FN3O5S/c1-3-28-19(25)22-11-10-21-18(24)15-12-14(9-8-13(15)2)29(26,27)23-17-7-5-4-6-16(17)20/h4-9,12,23H,3,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNIVCOBCLPMYMMH-UHFFFAOYSA-N
XLogP2.41
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate 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-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
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
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2496418
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31166045
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55869937
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate (CID 56557791) is ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C.
What is the InChIKey of ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate?
The InChIKey is NIVCOBCLPMYMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S/c1-3-28-19(25)22-11-10-21-18(24)15-12-14(9-8-13(15)2)29(26,27)23-17-7-5-4-6-16(17)20/h4-9,12,23H,3,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate?
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 56557791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).