[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate

C20H22N2O6S — CID 30238743

IUPAC[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O6S/c1-27-17-8-7-15(29(21,25)26)11-16(17)19(24)28-12-18(23)22-13-20(9-10-20)14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,22,23)(H2,21,25,26)
InChIKeySZUVDRNKBUHCTJ-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.35
Rot. Bonds8

About [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate (PubChem CID 30238743) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate
PubChem CID30238743
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O6S/c1-27-17-8-7-15(29(21,25)26)11-16(17)19(24)28-12-18(23)22-13-20(9-10-20)14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,22,23)(H2,21,25,26)
InChIKeySZUVDRNKBUHCTJ-UHFFFAOYSA-N
XLogP1.35
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate
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[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
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[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890743
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
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[2-(N-methylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
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[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
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CID 7467899
2-(2-nitro-4-sulfamoylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55868096
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate (CID 30238743) is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate is COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is SZUVDRNKBUHCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-27-17-8-7-15(29(21,25)26)11-16(17)19(24)28-12-18(23)22-13-20(9-10-20)14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate?
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 418.47 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 30238743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).