[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate

C23H27N3O6S — CID 42985627

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C23H27N3O6S/c1-3-26(4-2)33(30,31)20-7-5-6-19(14-20)24-21(27)15-32-23(29)17-10-12-18(13-11-17)25-22(28)16-8-9-16/h5-7,10-14,16H,3-4,8-9,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyABCOFTHDOVIUKG-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.86
Rot. Bonds10

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 42985627) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
PubChem CID42985627
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C23H27N3O6S/c1-3-26(4-2)33(30,31)20-7-5-6-19(14-20)24-21(27)15-32-23(29)17-10-12-18(13-11-17)25-22(28)16-8-9-16/h5-7,10-14,16H,3-4,8-9,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyABCOFTHDOVIUKG-UHFFFAOYSA-N
XLogP2.86
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate with MolForge

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Related Compounds

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 42985535
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-oxo-2-(4-phenylanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32960065
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 55314415
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505971
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate (CID 42985627) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is ABCOFTHDOVIUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-3-26(4-2)33(30,31)20-7-5-6-19(14-20)24-21(27)15-32-23(29)17-10-12-18(13-11-17)25-22(28)16-8-9-16/h5-7,10-14,16H,3-4,8-9,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 473.55 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 42985627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).