[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate

C27H30N2O6S — CID 5075578

IUPAC[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)ccc1C
InChIInChI=1S/C27H30N2O6S/c1-4-29(5-2)36(32,33)25-17-22(16-15-20(25)3)28-26(30)19-35-27(31)23-13-9-10-14-24(23)34-18-21-11-7-6-8-12-21/h6-17H,4-5,18-19H2,1-3H3,(H,28,30)
InChIKeyHMFWJONMHPCBRK-UHFFFAOYSA-N
MW510.61 g/mol
LogP4.40
Rot. Bonds11

About [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 5075578) has the molecular formula C27H30N2O6S and a molecular weight of 510.61 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID5075578
Molecular FormulaC27H30N2O6S
Molecular Weight510.61 g/mol
Exact Mass510.18
IUPAC Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)ccc1C
InChIInChI=1S/C27H30N2O6S/c1-4-29(5-2)36(32,33)25-17-22(16-15-20(25)3)28-26(30)19-35-27(31)23-13-9-10-14-24(23)34-18-21-11-7-6-8-12-21/h6-17H,4-5,18-19H2,1-3H3,(H,28,30)
InChIKeyHMFWJONMHPCBRK-UHFFFAOYSA-N
XLogP4.40
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 3588142
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 16570848
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 4845160
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020660
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533597
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 3654824

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate (CID 5075578) is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate is CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)ccc1C.
What is the InChIKey of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is HMFWJONMHPCBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6S/c1-4-29(5-2)36(32,33)25-17-22(16-15-20(25)3)28-26(30)19-35-27(31)23-13-9-10-14-24(23)34-18-21-11-7-6-8-12-21/h6-17H,4-5,18-19H2,1-3H3,(H,28,30).
What are the key properties of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate has a molecular weight of 510.61 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 5075578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).