methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate

C20H25NO4S — CID 133235477

IUPACmethyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(C)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H25NO4S/c1-15(14-20(2,3)17-10-6-5-7-11-17)21-26(23,24)18-12-8-9-16(13-18)19(22)25-4/h5-13,15,21H,14H2,1-4H3
InChIKeyYYPBPNGYFGLMEZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.51
Rot. Bonds7

About methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate

methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate (PubChem CID 133235477) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate
PubChem CID133235477
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Namemethyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(C)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H25NO4S/c1-15(14-20(2,3)17-10-6-5-7-11-17)21-26(23,24)18-12-8-9-16(13-18)19(22)25-4/h5-13,15,21H,14H2,1-4H3
InChIKeyYYPBPNGYFGLMEZ-UHFFFAOYSA-N
XLogP3.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
methyl 3-[[(2R)-4-methyl-4-phenylpentan-2-yl]carbamothioylamino]benzoate
CID 100714162
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463
2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
CID 43631243
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide
CID 133262202
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate (CID 133235477) is methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NC(C)CC(C)(C)c2ccccc2)c1.
What is the InChIKey of methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate?
The InChIKey is YYPBPNGYFGLMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15(14-20(2,3)17-10-6-5-7-11-17)21-26(23,24)18-12-8-9-16(13-18)19(22)25-4/h5-13,15,21H,14H2,1-4H3.
What are the key properties of methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate?
methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate has a molecular weight of 375.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methyl-4-phenylpentan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 133235477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).