2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide

C21H27N3O4S — CID 21372752

IUPAC2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C21H27N3O4S/c1-4-14-22-21(26)17-11-7-8-12-18(17)23-20(25)15-24(29(3,27)28)19-13-9-6-10-16(19)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCTYOZLRQHVNNGK-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.79
Rot. Bonds9

About 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide

2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 21372752) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
PubChem CID21372752
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C21H27N3O4S/c1-4-14-22-21(26)17-11-7-8-12-18(17)23-20(25)15-24(29(3,27)28)19-13-9-6-10-16(19)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCTYOZLRQHVNNGK-UHFFFAOYSA-N
XLogP2.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 2194495
N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 21372765
N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154127
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-propylbenzamide
CID 30271239
methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2209012
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
CID 43899854
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]amino]benzoic acid
CID 51343247
2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21371690
N-butyl-2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzamide
CID 30271289
2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 30271198

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide (CID 21372752) is 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O.
What is the InChIKey of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is CTYOZLRQHVNNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-14-22-21(26)17-11-7-8-12-18(17)23-20(25)15-24(29(3,27)28)19-13-9-6-10-16(19)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide?
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 21372752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).