4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide

C21H29N5O4S — CID 24510878

IUPAC4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H29N5O4S/c1-4-23-18-12-11-17(31(29,30)26(5-2)6-3)13-19(18)24-14-20(27)25-16-9-7-15(8-10-16)21(22)28/h7-13,23-24H,4-6,14H2,1-3H3,(H2,22,28)(H,25,27)
InChIKeyBCEXMERHJXEILK-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.30
Rot. Bonds11

About 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide

4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide (PubChem CID 24510878) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
PubChem CID24510878
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC Name4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H29N5O4S/c1-4-23-18-12-11-17(31(29,30)26(5-2)6-3)13-19(18)24-14-20(27)25-16-9-7-15(8-10-16)21(22)28/h7-13,23-24H,4-6,14H2,1-3H3,(H2,22,28)(H,25,27)
InChIKeyBCEXMERHJXEILK-UHFFFAOYSA-N
XLogP2.30
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363
2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide
CID 26439552
2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 24510897
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
2-(3-chloro-2-methylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9099238

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide (CID 24510878) is 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide?
The InChIKey is BCEXMERHJXEILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-4-23-18-12-11-17(31(29,30)26(5-2)6-3)13-19(18)24-14-20(27)25-16-9-7-15(8-10-16)21(22)28/h7-13,23-24H,4-6,14H2,1-3H3,(H2,22,28)(H,25,27).
What are the key properties of 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide?
4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide has a molecular weight of 447.56 g/mol, XLogP of 2.30, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 24510878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).