3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide

C16H23N3O4S — CID 97268880

IUPAC3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC)C(=O)N(C)C)c1
InChIInChI=1S/C16H23N3O4S/c1-5-10-17-15(20)12-8-7-9-13(11-12)24(22,23)18-14(6-2)16(21)19(3)4/h5,7-9,11,14,18H,1,6,10H2,2-4H3,(H,17,20)/t14-/m0/s1
InChIKeyZVXLJQPEBWCFHO-AWEZNQCLSA-N
MW353.44 g/mol
LogP0.75
Rot. Bonds8

About 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide

3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 97268880) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID97268880
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC)C(=O)N(C)C)c1
InChIInChI=1S/C16H23N3O4S/c1-5-10-17-15(20)12-8-7-9-13(11-12)24(22,23)18-14(6-2)16(21)19(3)4/h5,7-9,11,14,18H,1,6,10H2,2-4H3,(H,17,20)/t14-/m0/s1
InChIKeyZVXLJQPEBWCFHO-AWEZNQCLSA-N
XLogP0.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.75
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

3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 55871543
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109062420
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 26641485
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86879597
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 109062473
3-N-butyl-3-N-methyl-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050938

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide (CID 97268880) is 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC)C(=O)N(C)C)c1.
What is the InChIKey of 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is ZVXLJQPEBWCFHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-5-10-17-15(20)12-8-7-9-13(11-12)24(22,23)18-14(6-2)16(21)19(3)4/h5,7-9,11,14,18H,1,6,10H2,2-4H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide?
3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 353.44 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 97268880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).