methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate

C19H25N3O5S — CID 46284093

IUPACmethyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)C)cc2)cn1C
InChIInChI=1S/C19H25N3O5S/c1-13(2)14-5-7-15(8-6-14)21-18(23)9-10-20-28(25,26)16-11-17(19(24)27-4)22(3)12-16/h5-8,11-13,20H,9-10H2,1-4H3,(H,21,23)
InChIKeyIJCSWVULJAUODA-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.24
Rot. Bonds8

About methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate

methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate (PubChem CID 46284093) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate
PubChem CID46284093
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Namemethyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)C)cc2)cn1C
InChIInChI=1S/C19H25N3O5S/c1-13(2)14-5-7-15(8-6-14)21-18(23)9-10-20-28(25,26)16-11-17(19(24)27-4)22(3)12-16/h5-8,11-13,20H,9-10H2,1-4H3,(H,21,23)
InChIKeyIJCSWVULJAUODA-UHFFFAOYSA-N
XLogP2.24
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284092
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
CID 20914102
N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
CID 6623799
3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
CID 9246818
methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
CID 46284104
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate
CID 9413514

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate (CID 46284093) is methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCC(=O)Nc2ccc(C(C)C)cc2)cn1C.
What is the InChIKey of methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is IJCSWVULJAUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-13(2)14-5-7-15(8-6-14)21-18(23)9-10-20-28(25,26)16-11-17(19(24)27-4)22(3)12-16/h5-8,11-13,20H,9-10H2,1-4H3,(H,21,23).
What are the key properties of methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate?
methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 46284093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).