methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate

C19H23NO5S — CID 133161339

IUPACmethyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
SMILESCCC(NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO5S/c1-5-18(14-7-9-15(24-3)10-8-14)20-26(22,23)16-11-6-13(2)17(12-16)19(21)25-4/h6-12,18,20H,5H2,1-4H3
InChIKeyKGCCTHDOGRELME-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.22
Rot. Bonds7

About methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate

methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate (PubChem CID 133161339) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
PubChem CID133161339
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Namemethyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
SMILESCCC(NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO5S/c1-5-18(14-7-9-15(24-3)10-8-14)20-26(22,23)16-11-6-13(2)17(12-16)19(21)25-4/h6-12,18,20H,5H2,1-4H3
InChIKeyKGCCTHDOGRELME-UHFFFAOYSA-N
XLogP3.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100500705
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146121429
methyl 5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylbenzoate
CID 133265218
methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate (CID 133161339) is methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate is CCC(NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(OC)cc1.
What is the InChIKey of methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate?
The InChIKey is KGCCTHDOGRELME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-5-18(14-7-9-15(24-3)10-8-14)20-26(22,23)16-11-6-13(2)17(12-16)19(21)25-4/h6-12,18,20H,5H2,1-4H3.
What are the key properties of methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate?
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate has a molecular weight of 377.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 133161339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).