4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

C21H23N3O5S — CID 90330489

IUPAC4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3ccc(CNS(C)(=O)=O)cc3)c2)=C(O)C1=O
InChIInChI=1S/C21H23N3O5S/c1-24-13-18(19(25)21(24)27)20(26)22-11-15-4-3-5-17(10-15)16-8-6-14(7-9-16)12-23-30(2,28)29/h3-10,23,25H,11-13H2,1-2H3,(H,22,26)
InChIKeyKGEIAACWRFXQJM-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.30
Rot. Bonds7

About 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330489) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330489
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3ccc(CNS(C)(=O)=O)cc3)c2)=C(O)C1=O
InChIInChI=1S/C21H23N3O5S/c1-24-13-18(19(25)21(24)27)20(26)22-11-15-4-3-5-17(10-15)16-8-6-14(7-9-16)12-23-30(2,28)29/h3-10,23,25H,11-13H2,1-2H3,(H,22,26)
InChIKeyKGEIAACWRFXQJM-UHFFFAOYSA-N
XLogP1.30
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330489) is 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2cccc(-c3ccc(CNS(C)(=O)=O)cc3)c2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is KGEIAACWRFXQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-24-13-18(19(25)21(24)27)20(26)22-11-15-4-3-5-17(10-15)16-8-6-14(7-9-16)12-23-30(2,28)29/h3-10,23,25H,11-13H2,1-2H3,(H,22,26).
What are the key properties of 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).