methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate

C19H22N4O5S — CID 34377363

IUPACmethyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)n(C)c1
InChIInChI=1S/C19H22N4O5S/c1-20-29(26,27)13-9-17(23(2)11-13)18(24)22-16(19(25)28-3)8-12-10-21-15-7-5-4-6-14(12)15/h4-7,9-11,16,20-21H,8H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyRZLAZSRUQIBXHQ-MRXNPFEDSA-N
MW418.48 g/mol
LogP0.93
Rot. Bonds7

About methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate

methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate (PubChem CID 34377363) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate
PubChem CID34377363
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Namemethyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)n(C)c1
InChIInChI=1S/C19H22N4O5S/c1-20-29(26,27)13-9-17(23(2)11-13)18(24)22-16(19(25)28-3)8-12-10-21-15-7-5-4-6-14(12)15/h4-7,9-11,16,20-21H,8H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyRZLAZSRUQIBXHQ-MRXNPFEDSA-N
XLogP0.93
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

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methyl (2R)-3-(1H-indol-3-yl)-2-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]propanoate
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CID 18086563
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CID 10988127
methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 75130384
methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(methylamino)propanoyl]amino]propanoate
CID 166966040
methyl (2R)-3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoate
CID 2508993
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate (CID 34377363) is methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate is CNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)n(C)c1.
What is the InChIKey of methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate?
The InChIKey is RZLAZSRUQIBXHQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-20-29(26,27)13-9-17(23(2)11-13)18(24)22-16(19(25)28-3)8-12-10-21-15-7-5-4-6-14(12)15/h4-7,9-11,16,20-21H,8H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate?
methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate has a molecular weight of 418.48 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1H-indol-3-yl)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoate is sourced from PubChem (CID 34377363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).