[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate

C22H27N3O6S — CID 55305715

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C(C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H27N3O6S/c1-4-25(5-2)32(29,30)19-13-9-12-18(14-19)24-20(26)15-31-22(28)16(3)23-21(27)17-10-7-6-8-11-17/h6-14,16H,4-5,15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXVUGYQIIHUOQDQ-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.02
Rot. Bonds10

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate (PubChem CID 55305715) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate
PubChem CID55305715
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C(C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H27N3O6S/c1-4-25(5-2)32(29,30)19-13-9-12-18(14-19)24-20(26)15-31-22(28)16(3)23-21(27)17-10-7-6-8-11-17/h6-14,16H,4-5,15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXVUGYQIIHUOQDQ-UHFFFAOYSA-N
XLogP2.02
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55928151
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 25387157
N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 18163583
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 4148507
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[2-(3-methylsulfonylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8980932
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884724
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate (CID 55305715) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C(C)NC(=O)c2ccccc2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate?
The InChIKey is XVUGYQIIHUOQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-4-25(5-2)32(29,30)19-13-9-12-18(14-19)24-20(26)15-31-22(28)16(3)23-21(27)17-10-7-6-8-11-17/h6-14,16H,4-5,15H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate has a molecular weight of 461.54 g/mol, XLogP of 2.02, 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] 2-benzamidopropanoate is sourced from PubChem (CID 55305715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).