ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate

C16H17N3O6S — CID 70690386

IUPACethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C16H17N3O6S/c1-2-24-15(20)13-5-3-4-6-14(13)19-16(21)18-11-7-9-12(10-8-11)25-26(17,22)23/h3-10H,2H2,1H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyBTDCRIRAHNKHEP-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.09
Rot. Bonds6

About ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate

ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate (PubChem CID 70690386) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
PubChem CID70690386
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Nameethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C16H17N3O6S/c1-2-24-15(20)13-5-3-4-6-14(13)19-16(21)18-11-7-9-12(10-8-11)25-26(17,22)23/h3-10H,2H2,1H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyBTDCRIRAHNKHEP-UHFFFAOYSA-N
XLogP2.09
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
CID 70690387
Ethyl 4-({[4-(sulfamoyloxy)phenyl]carbamoyl}amino)benzoate
CID 70692550
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
2-{[(butylamino)carbonyl]amino}-N-(4-methoxyphenyl)benzamide
CID 1864779
Ethyl 2-((2-((methylsulphonyl)amino)benzoyl)amino)benzoate
CID 1266830
Ethyl 2-{[(2-methoxyphenyl)acetyl]amino}benzoate
CID 727428
4-(Acetylamino)phenyl 2-aminobenzoate
CID 872399
N-(4-ethoxyphenyl)-2-[(methylsulfonyl)amino]benzamide
CID 967572
Ethyl 2-{[(3,4-dimethoxyphenyl)carbamoyl]amino}benzoate
CID 971559
2-{2-[Methanesulfonyl-(4-methoxy-phenyl)-amino]-acetylamino}-benzoic acid methyl ester
CID 1100019
Methyl 2-[({[1-(4-ethoxyphenyl)ethyl]amino}carbonyl)amino]benzoate
CID 2955298
3-{[(4-Ethoxyphenyl)carbamoyl]amino}benzoic acid
CID 6465812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate (CID 70690386) is ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
The InChIKey is BTDCRIRAHNKHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-2-24-15(20)13-5-3-4-6-14(13)19-16(21)18-11-7-9-12(10-8-11)25-26(17,22)23/h3-10H,2H2,1H3,(H2,17,22,23)(H2,18,19,21).
What are the key properties of ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate has a molecular weight of 379.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 70690386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).