tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate

C22H28N4O5S — CID 139733660

IUPACtert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate
SMILESCCc1ccnn1CNS(=O)(=O)c1ccc(OC)c(-c2cccn2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C22H28N4O5S/c1-6-16-11-12-23-26(16)15-24-32(28,29)17-9-10-20(30-5)18(14-17)19-8-7-13-25(19)21(27)31-22(2,3)4/h7-14,24H,6,15H2,1-5H3
InChIKeyTYLLLLLUNSFGNW-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.64
Rot. Bonds7

About tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate

tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate (PubChem CID 139733660) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate
PubChem CID139733660
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Nametert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate
SMILESCCc1ccnn1CNS(=O)(=O)c1ccc(OC)c(-c2cccn2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C22H28N4O5S/c1-6-16-11-12-23-26(16)15-24-32(28,29)17-9-10-20(30-5)18(14-17)19-8-7-13-25(19)21(27)31-22(2,3)4/h7-14,24H,6,15H2,1-5H3
InChIKeyTYLLLLLUNSFGNW-UHFFFAOYSA-N
XLogP3.64
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-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

tert-butyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrole-1-carboxylate
CID 56839230
tert-butyl 2-(3-aminophenyl)pyrrole-1-carboxylate
CID 22461192
tert-butyl 2-[5-tert-butyl-3-[9-[5-tert-butyl-2-methoxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]-2-methoxyphenyl]pyrrole-1-carboxylate
CID 59271135
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate
CID 53242898
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
CID 165487001
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031
methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
CID 119989908
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethyl-4-methoxybenzenesulfonamide
CID 66485547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate (CID 139733660) is tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate is CCc1ccnn1CNS(=O)(=O)c1ccc(OC)c(-c2cccn2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate?
The InChIKey is TYLLLLLUNSFGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-6-16-11-12-23-26(16)15-24-32(28,29)17-9-10-20(30-5)18(14-17)19-8-7-13-25(19)21(27)31-22(2,3)4/h7-14,24H,6,15H2,1-5H3.
What are the key properties of tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate?
tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate has a molecular weight of 460.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-[(5-ethylpyrazol-1-yl)methylsulfamoyl]-2-methoxyphenyl]pyrrole-1-carboxylate is sourced from PubChem (CID 139733660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).