methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

C19H20N2O4S — CID 177422930

IUPACmethyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O4S/c1-13-7-9-16(10-8-13)26(23,24)21-18(19(22)25-2)12-15-11-14-5-3-4-6-17(14)20-15/h3-11,18,20-21H,12H2,1-2H3/t18-/m1/s1
InChIKeyXJMPJDYDOZHGSG-GOSISDBHSA-N
MW372.45 g/mol
LogP2.54
Rot. Bonds6

About methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 177422930) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID177422930
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O4S/c1-13-7-9-16(10-8-13)26(23,24)21-18(19(22)25-2)12-15-11-14-5-3-4-6-17(14)20-15/h3-11,18,20-21H,12H2,1-2H3/t18-/m1/s1
InChIKeyXJMPJDYDOZHGSG-GOSISDBHSA-N
XLogP2.54
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3-(1H-indol-2-yl)propanoate
CID 135020887
methyl (2S)-3-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 122404349
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl (2S)-2-[2-(1H-indol-2-yl)ethylamino]butanoate
CID 124625235
1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 118705392
methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-6-(naphthalen-2-ylsulfonylamino)hexanoate
CID 74225288
methyl 3-(5-methoxy-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 134909144
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
methyl 3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 3320573

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate (CID 177422930) is methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is COC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is XJMPJDYDOZHGSG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-7-9-16(10-8-13)26(23,24)21-18(19(22)25-2)12-15-11-14-5-3-4-6-17(14)20-15/h3-11,18,20-21H,12H2,1-2H3/t18-/m1/s1.
What are the key properties of methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate?
methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 372.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 177422930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).