N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C19H26N4O4S — CID 22519131

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C19H26N4O4S/c1-21(2)16-6-4-15(5-7-16)13-20-19(24)18-12-17(14-22(18)3)28(25,26)23-8-10-27-11-9-23/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,24)
InChIKeyCAGHEJDJOQVSRM-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.04
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519131) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519131
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C19H26N4O4S/c1-21(2)16-6-4-15(5-7-16)13-20-19(24)18-12-17(14-22(18)3)28(25,26)23-8-10-27-11-9-23/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,24)
InChIKeyCAGHEJDJOQVSRM-UHFFFAOYSA-N
XLogP1.04
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 22519131) is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is CAGHEJDJOQVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-21(2)16-6-4-15(5-7-16)13-20-19(24)18-12-17(14-22(18)3)28(25,26)23-8-10-27-11-9-23/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).