ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate

C16H16FN3O5S — CID 25494260

IUPACethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O5S/c1-2-25-16(22)19-18-15(21)11-3-9-14(10-4-11)26(23,24)20-13-7-5-12(17)6-8-13/h3-10,20H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyQVKUBVAJNCAMEE-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.02
Rot. Bonds5

About ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate

ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate (PubChem CID 25494260) has the molecular formula C16H16FN3O5S and a molecular weight of 381.39 g/mol. Its IUPAC name is ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
PubChem CID25494260
Molecular FormulaC16H16FN3O5S
Molecular Weight381.39 g/mol
Exact Mass381.08
IUPAC Nameethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O5S/c1-2-25-16(22)19-18-15(21)11-3-9-14(10-4-11)26(23,24)20-13-7-5-12(17)6-8-13/h3-10,20H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyQVKUBVAJNCAMEE-UHFFFAOYSA-N
XLogP2.02
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
ethyl (E)-3-[4-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]phenyl]prop-2-enoate
CID 25352936
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate?
The IUPAC name of ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate (CID 25494260) is ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate?
The canonical SMILES for ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate is CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate?
The InChIKey is QVKUBVAJNCAMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5S/c1-2-25-16(22)19-18-15(21)11-3-9-14(10-4-11)26(23,24)20-13-7-5-12(17)6-8-13/h3-10,20H,2H2,1H3,(H,18,21)(H,19,22).
What are the key properties of ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate?
ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate has a molecular weight of 381.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate is sourced from PubChem (CID 25494260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).