N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide

C20H23Cl2N3O4S — CID 21372765

IUPACN-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C20H23Cl2N3O4S/c1-3-4-12-23-20(27)14-8-5-6-10-16(14)24-18(26)13-25(30(2,28)29)17-11-7-9-15(21)19(17)22/h5-11H,3-4,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyOYYISEUVGPUTCL-UHFFFAOYSA-N
MW472.39 g/mol
LogP3.93
Rot. Bonds9

About N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide

N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 21372765) has the molecular formula C20H23Cl2N3O4S and a molecular weight of 472.39 g/mol. Its IUPAC name is N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID21372765
Molecular FormulaC20H23Cl2N3O4S
Molecular Weight472.39 g/mol
Exact Mass471.08
IUPAC NameN-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C20H23Cl2N3O4S/c1-3-4-12-23-20(27)14-8-5-6-10-16(14)24-18(26)13-25(30(2,28)29)17-11-7-9-15(21)19(17)22/h5-11H,3-4,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyOYYISEUVGPUTCL-UHFFFAOYSA-N
XLogP3.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21372752
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1317655
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
N-butyl-2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzamide
CID 30271289
methyl 3-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 21371889
2-[[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 3652560
N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 30271280
2-[[2-[N-(benzenesulfonyl)-2,3-dimethylanilino]acetyl]amino]-N-butylbenzamide
CID 21372461
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]amino]-N-benzylbenzamide
CID 126033575
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 2929125
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 21372765) is N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is OYYISEUVGPUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4S/c1-3-4-12-23-20(27)14-8-5-6-10-16(14)24-18(26)13-25(30(2,28)29)17-11-7-9-15(21)19(17)22/h5-11H,3-4,12-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide?
N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 472.39 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 21372765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).