2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide

C21H25N3O4S — CID 2194495

IUPAC2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C21H25N3O4S/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/h4,6-13H,1,5,14-15H2,2-3H3,(H,22,26)(H,23,25)
InChIKeyWZVOAALWGBYTFK-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.57
Rot. Bonds9

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

2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 2194495) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID2194495
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C21H25N3O4S/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/h4,6-13H,1,5,14-15H2,2-3H3,(H,22,26)(H,23,25)
InChIKeyWZVOAALWGBYTFK-UHFFFAOYSA-N
XLogP2.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 126134629
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21372752
2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 126134836
N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154127
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-prop-2-enylbenzamide
CID 126129090
methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2209012
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
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
N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 21372765

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide (CID 2194495) is 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1CC)S(C)(=O)=O.
What is the InChIKey of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is WZVOAALWGBYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/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/h4,6-13H,1,5,14-15H2,2-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide?
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 2.57, 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-prop-2-enylbenzamide is sourced from PubChem (CID 2194495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).