4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide

C24H34N4O5S — CID 71317078

IUPAC4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2cccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)c2)C1=O
InChIInChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-13-12-18-6-5-7-20(14-18)34(32,33)27-23(30)26-19-10-8-16(2)9-11-19/h5-7,14,16,19H,4,8-13,15H2,1-3H3,(H,25,31)(H2,26,27,30)
InChIKeyXBXROPCBZLGQMA-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.07
Rot. Bonds7

About 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide

4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide (PubChem CID 71317078) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide
PubChem CID71317078
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2cccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)c2)C1=O
InChIInChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-13-12-18-6-5-7-20(14-18)34(32,33)27-23(30)26-19-10-8-16(2)9-11-19/h5-7,14,16,19H,4,8-13,15H2,1-3H3,(H,25,31)(H2,26,27,30)
InChIKeyXBXROPCBZLGQMA-UHFFFAOYSA-N
XLogP3.07
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide?
The IUPAC name of 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide (CID 71317078) is 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide?
The canonical SMILES for 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide is CCC1=C(C)CN(C(=O)NCCc2cccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)c2)C1=O.
What is the InChIKey of 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide?
The InChIKey is XBXROPCBZLGQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-13-12-18-6-5-7-20(14-18)34(32,33)27-23(30)26-19-10-8-16(2)9-11-19/h5-7,14,16,19H,4,8-13,15H2,1-3H3,(H,25,31)(H2,26,27,30).
What are the key properties of 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide?
4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 71317078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).