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

C16H20N2O4S — CID 20914102

IUPACmethyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC(C)c2ccccc2)cn1C
InChIInChI=1S/C16H20N2O4S/c1-12(13-7-5-4-6-8-13)10-17-23(20,21)14-9-15(16(19)22-3)18(2)11-14/h4-9,11-12,17H,10H2,1-3H3
InChIKeyCCCWQFIMHXOORN-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.89
Rot. Bonds6

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

methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 20914102) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
PubChem CID20914102
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Namemethyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC(C)c2ccccc2)cn1C
InChIInChI=1S/C16H20N2O4S/c1-12(13-7-5-4-6-8-13)10-17-23(20,21)14-9-15(16(19)22-3)18(2)11-14/h4-9,11-12,17H,10H2,1-3H3
InChIKeyCCCWQFIMHXOORN-UHFFFAOYSA-N
XLogP1.89
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
CID 6623799
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077
methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284093
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515635
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate (CID 20914102) is methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCC(C)c2ccccc2)cn1C.
What is the InChIKey of methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is CCCWQFIMHXOORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12(13-7-5-4-6-8-13)10-17-23(20,21)14-9-15(16(19)22-3)18(2)11-14/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate?
methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 1.89, 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-phenylpropylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 20914102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).