[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate

C24H30ClN3O6S — CID 4148507

IUPAC[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C(NC(=O)c2ccccc2)C(C)C)c1
InChIInChI=1S/C24H30ClN3O6S/c1-5-28(6-2)35(32,33)18-12-13-19(25)20(14-18)26-21(29)15-34-24(31)22(16(3)4)27-23(30)17-10-8-7-9-11-17/h7-14,16,22H,5-6,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyGBQFWNDWDRNLBD-UHFFFAOYSA-N
MW524.04 g/mol
LogP3.31
Rot. Bonds11

About [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate

[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate (PubChem CID 4148507) has the molecular formula C24H30ClN3O6S and a molecular weight of 524.04 g/mol. Its IUPAC name is [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
PubChem CID4148507
Molecular FormulaC24H30ClN3O6S
Molecular Weight524.04 g/mol
Exact Mass523.15
IUPAC Name[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C(NC(=O)c2ccccc2)C(C)C)c1
InChIInChI=1S/C24H30ClN3O6S/c1-5-28(6-2)35(32,33)18-12-13-19(25)20(14-18)26-21(29)15-34-24(31)22(16(3)4)27-23(30)17-10-8-7-9-11-17/h7-14,16,22H,5-6,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyGBQFWNDWDRNLBD-UHFFFAOYSA-N
XLogP3.31
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.04
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate with MolForge

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Related Compounds

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 25387157
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 5025825
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 55925771
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 55315691
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate
CID 55305715
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 4015571
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2436111
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 4681208
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
cis-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7778150
cis-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778148
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate?
The IUPAC name of [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate (CID 4148507) is [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C(NC(=O)c2ccccc2)C(C)C)c1.
What is the InChIKey of [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate?
The InChIKey is GBQFWNDWDRNLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O6S/c1-5-28(6-2)35(32,33)18-12-13-19(25)20(14-18)26-21(29)15-34-24(31)22(16(3)4)27-23(30)17-10-8-7-9-11-17/h7-14,16,22H,5-6,15H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate?
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate has a molecular weight of 524.04 g/mol, XLogP of 3.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate is sourced from PubChem (CID 4148507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).