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

C20H22N2O5S — CID 55525907

IUPAC[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O5S/c1-14-7-8-16(28(21,25)26)11-17(14)19(24)27-12-18(23)22-13-20(9-10-20)15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,23)(H2,21,25,26)
InChIKeyNTMJIZXVMVHZGW-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.65
Rot. Bonds7

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

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate (PubChem CID 55525907) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate
PubChem CID55525907
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O5S/c1-14-7-8-16(28(21,25)26)11-17(14)19(24)27-12-18(23)22-13-20(9-10-20)15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,23)(H2,21,25,26)
InChIKeyNTMJIZXVMVHZGW-UHFFFAOYSA-N
XLogP1.65
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 30238743
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 46792804
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 30896186
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
CID 42985631
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-methoxy-5-methylbenzoate
CID 34305470
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
CID 31653771
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 5-methylpyrazine-2-carboxylate
CID 30583280
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033083
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320891
[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate
CID 7837296

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate (CID 55525907) is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate is Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate?
The InChIKey is NTMJIZXVMVHZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-14-7-8-16(28(21,25)26)11-17(14)19(24)27-12-18(23)22-13-20(9-10-20)15-5-3-2-4-6-15/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-methyl-5-sulfamoylbenzoate?
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate has a molecular weight of 402.47 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate is sourced from PubChem (CID 55525907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).