N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide

C40H52N4O6SSi — CID 176736322

IUPACN-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc2)C1=O
InChIInChI=1S/C40H52N4O6SSi/c1-6-36-29(2)27-44(37(36)45)39(47)41-26-25-30-19-23-33(24-20-30)51(48,49)43-38(46)42-32-21-17-31(18-22-32)28-50-52(40(3,4)5,34-13-9-7-10-14-34)35-15-11-8-12-16-35/h7-16,19-20,23-24,31-32H,6,17-18,21-22,25-28H2,1-5H3,(H,41,47)(H2,42,43,46)
InChIKeyZHADBRGTXINBOA-UHFFFAOYSA-N
MW745.03 g/mol
LogP5.63
Rot. Bonds12

About N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide

N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide (PubChem CID 176736322) has the molecular formula C40H52N4O6SSi and a molecular weight of 745.03 g/mol. Its IUPAC name is N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
PubChem CID176736322
Molecular FormulaC40H52N4O6SSi
Molecular Weight745.03 g/mol
Exact Mass744.34
IUPAC NameN-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc2)C1=O
InChIInChI=1S/C40H52N4O6SSi/c1-6-36-29(2)27-44(37(36)45)39(47)41-26-25-30-19-23-33(24-20-30)51(48,49)43-38(46)42-32-21-17-31(18-22-32)28-50-52(40(3,4)5,34-13-9-7-10-14-34)35-15-11-8-12-16-35/h7-16,19-20,23-24,31-32H,6,17-18,21-22,25-28H2,1-5H3,(H,41,47)(H2,42,43,46)
InChIKeyZHADBRGTXINBOA-UHFFFAOYSA-N
XLogP5.63
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.03
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The IUPAC name of N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide (CID 176736322) is N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide.
What is the SMILES notation for N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The canonical SMILES for N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide is CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)cc2)C1=O.
What is the InChIKey of N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
The InChIKey is ZHADBRGTXINBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N4O6SSi/c1-6-36-29(2)27-44(37(36)45)39(47)41-26-25-30-19-23-33(24-20-30)51(48,49)43-38(46)42-32-21-17-31(18-22-32)28-50-52(40(3,4)5,34-13-9-7-10-14-34)35-15-11-8-12-16-35/h7-16,19-20,23-24,31-32H,6,17-18,21-22,25-28H2,1-5H3,(H,41,47)(H2,42,43,46).
What are the key properties of N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide?
N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide has a molecular weight of 745.03 g/mol, XLogP of 5.63, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 176736322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).