methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate

C15H18N2O4S — CID 6623799

IUPACmethyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)cn1C
InChIInChI=1S/C15H18N2O4S/c1-17-11-13(10-14(17)15(18)21-2)22(19,20)16-9-8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyPGLZOSULWLXVJA-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.33
Rot. Bonds6

About methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate

methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 6623799) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
PubChem CID6623799
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Namemethyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)cn1C
InChIInChI=1S/C15H18N2O4S/c1-17-11-13(10-14(17)15(18)21-2)22(19,20)16-9-8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyPGLZOSULWLXVJA-UHFFFAOYSA-N
XLogP1.33
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
CID 20914102
methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077
methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284055
methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20938643
methyl 4-[[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284092
methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284093
methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
CID 46284104
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
methyl 4-[2-(benzylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53052082
methyl 4-[(2R)-2-(benzylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063629
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate (CID 6623799) is methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)cn1C.
What is the InChIKey of methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is PGLZOSULWLXVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-17-11-13(10-14(17)15(18)21-2)22(19,20)16-9-8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate?
methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 6623799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).