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

C18H21NO5S — CID 100763986

IUPACmethyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)ccc1C
InChIInChI=1S/C18H21NO5S/c1-12-9-10-14(11-16(12)18(20)24-4)25(21,22)19-13(2)15-7-5-6-8-17(15)23-3/h5-11,13,19H,1-4H3/t13-/m0/s1
InChIKeyIKYIJNDWEQLBLG-ZDUSSCGKSA-N
MW363.44 g/mol
LogP2.83
Rot. Bonds6

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

methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate (PubChem CID 100763986) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
PubChem CID100763986
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namemethyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)ccc1C
InChIInChI=1S/C18H21NO5S/c1-12-9-10-14(11-16(12)18(20)24-4)25(21,22)19-13(2)15-7-5-6-8-17(15)23-3/h5-11,13,19H,1-4H3/t13-/m0/s1
InChIKeyIKYIJNDWEQLBLG-ZDUSSCGKSA-N
XLogP2.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100500705
methyl 5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylbenzoate
CID 133265218
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774
methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate (CID 100763986) is methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate is COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)ccc1C.
What is the InChIKey of methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
The InChIKey is IKYIJNDWEQLBLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-12-9-10-14(11-16(12)18(20)24-4)25(21,22)19-13(2)15-7-5-6-8-17(15)23-3/h5-11,13,19H,1-4H3/t13-/m0/s1.
What are the key properties of methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate?
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate has a molecular weight of 363.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 100763986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).