methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

C18H27N3O5S — CID 20938647

IUPACmethyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C(C)(C)C)cn1C
InChIInChI=1S/C18H27N3O5S/c1-18(2,3)21(12-14-7-6-10-26-14)9-8-19-27(23,24)15-11-16(17(22)25-5)20(4)13-15/h6-7,10-11,13,19H,8-9,12H2,1-5H3
InChIKeyIBNXRWOODCZNCT-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.98
Rot. Bonds8

About methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 20938647) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID20938647
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Namemethyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C(C)(C)C)cn1C
InChIInChI=1S/C18H27N3O5S/c1-18(2,3)21(12-14-7-6-10-26-14)9-8-19-27(23,24)15-11-16(17(22)25-5)20(4)13-15/h6-7,10-11,13,19H,8-9,12H2,1-5H3
InChIKeyIBNXRWOODCZNCT-UHFFFAOYSA-N
XLogP1.98
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-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-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
CID 6623799
methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284055
N-[2-[tert-butyl(furan-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335974
methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
methyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023574
methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
CID 46284104
methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20938643
methyl 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 2810312
methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284093
methyl 4-[[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284092
N,N-bis(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103029007

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 20938647) is methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCN(Cc2ccco2)C(C)(C)C)cn1C.
What is the InChIKey of methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is IBNXRWOODCZNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-18(2,3)21(12-14-7-6-10-26-14)9-8-19-27(23,24)15-11-16(17(22)25-5)20(4)13-15/h6-7,10-11,13,19H,8-9,12H2,1-5H3.
What are the key properties of methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 20938647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).