4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide

C17H24N2O4S — CID 97109915

IUPAC4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCCO2)cc1
InChIInChI=1S/C17H24N2O4S/c1-3-11-18-17(20)14-7-9-16(10-8-14)24(21,22)19(2)13-15-6-4-5-12-23-15/h3,7-10,15H,1,4-6,11-13H2,2H3,(H,18,20)/t15-/m1/s1
InChIKeyKEGWGVNGPAJNCT-OAHLLOKOSA-N
MW352.46 g/mol
LogP1.79
Rot. Bonds7

About 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide

4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 97109915) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID97109915
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCCO2)cc1
InChIInChI=1S/C17H24N2O4S/c1-3-11-18-17(20)14-7-9-16(10-8-14)24(21,22)19(2)13-15-6-4-5-12-23-15/h3,7-10,15H,1,4-6,11-13H2,2H3,(H,18,20)/t15-/m1/s1
InChIKeyKEGWGVNGPAJNCT-OAHLLOKOSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 7202655
N-cyclopropyl-4-[1,4-dioxan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 70742998
N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide
CID 97130216
N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43947187
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560940
4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733234
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
N-(1-benzothiophen-5-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560873
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide (CID 97109915) is 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCCO2)cc1.
What is the InChIKey of 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is KEGWGVNGPAJNCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-3-11-18-17(20)14-7-9-16(10-8-14)24(21,22)19(2)13-15-6-4-5-12-23-15/h3,7-10,15H,1,4-6,11-13H2,2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide?
4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 97109915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).