methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate

C19H23NO4S — CID 100500705

IUPACmethyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
SMILESCCc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-5-15-7-9-16(10-8-15)14(3)20-25(22,23)17-11-6-13(2)18(12-17)19(21)24-4/h6-12,14,20H,5H2,1-4H3/t14-/m0/s1
InChIKeyHTMFMEGFPVTBCL-AWEZNQCLSA-N
MW361.46 g/mol
LogP3.38
Rot. Bonds6

About methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate

methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate (PubChem CID 100500705) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
PubChem CID100500705
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Namemethyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
SMILESCCc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-5-15-7-9-16(10-8-15)14(3)20-25(22,23)17-11-6-13(2)18(12-17)19(21)24-4/h6-12,14,20H,5H2,1-4H3/t14-/m0/s1
InChIKeyHTMFMEGFPVTBCL-AWEZNQCLSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylbenzoate
CID 133265218
methyl 2-methyl-5-[[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]sulfamoyl]benzoate
CID 100606052
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
3-(azepane-1-carbonyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 100735815
methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 133160792
(2R)-2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]propanoic acid
CID 120968800

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate (CID 100500705) is methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate is CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
The InChIKey is HTMFMEGFPVTBCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-5-15-7-9-16(10-8-15)14(3)20-25(22,23)17-11-6-13(2)18(12-17)19(21)24-4/h6-12,14,20H,5H2,1-4H3/t14-/m0/s1.
What are the key properties of methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate has a molecular weight of 361.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 100500705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).