N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide

C21H23N3O3S — CID 75399474

IUPACN-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide
SMILESCC(Cc1ccccc1)n1cccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-16(15-17-7-4-3-5-8-17)24-14-6-9-20(24)21(25)22-18-10-12-19(13-11-18)23-28(2,26)27/h3-14,16,23H,15H2,1-2H3,(H,22,25)
InChIKeyMVFJUGNVFIJGDN-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.92
Rot. Bonds7

About N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide

N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide (PubChem CID 75399474) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide
PubChem CID75399474
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide
SMILESCC(Cc1ccccc1)n1cccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-16(15-17-7-4-3-5-8-17)24-14-6-9-20(24)21(25)22-18-10-12-19(13-11-18)23-28(2,26)27/h3-14,16,23H,15H2,1-2H3,(H,22,25)
InChIKeyMVFJUGNVFIJGDN-UHFFFAOYSA-N
XLogP3.92
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide (CID 75399474) is N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide is CC(Cc1ccccc1)n1cccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide?
The InChIKey is MVFJUGNVFIJGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-16(15-17-7-4-3-5-8-17)24-14-6-9-20(24)21(25)22-18-10-12-19(13-11-18)23-28(2,26)27/h3-14,16,23H,15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide?
N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-1-(1-phenylpropan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 75399474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).