ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C23H32N4O6S — CID 22586150

IUPACethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)n(C)c1C
InChIInChI=1S/C23H32N4O6S/c1-6-33-23(29)21-16(2)25(4)17(3)22(21)34(30,31)24-15-20(28)27-13-11-26(12-14-27)18-7-9-19(32-5)10-8-18/h7-10,24H,6,11-15H2,1-5H3
InChIKeyVAPJNXJARFYMJO-UHFFFAOYSA-N
MW492.60 g/mol
LogP1.45
Rot. Bonds8

About ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 22586150) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID22586150
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC Nameethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)n(C)c1C
InChIInChI=1S/C23H32N4O6S/c1-6-33-23(29)21-16(2)25(4)17(3)22(21)34(30,31)24-15-20(28)27-13-11-26(12-14-27)18-7-9-19(32-5)10-8-18/h7-10,24H,6,11-15H2,1-5H3
InChIKeyVAPJNXJARFYMJO-UHFFFAOYSA-N
XLogP1.45
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586129
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42389281
4-ethoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 3331081
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
CID 16748632
5-[4-(4-ethoxycarbonylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-5-oxopentanoic acid
CID 71489057
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
ethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53059292
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 22586150) is ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is VAPJNXJARFYMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-6-33-23(29)21-16(2)25(4)17(3)22(21)34(30,31)24-15-20(28)27-13-11-26(12-14-27)18-7-9-19(32-5)10-8-18/h7-10,24H,6,11-15H2,1-5H3.
What are the key properties of ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 492.60 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 22586150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).