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

C19H26N4O3S — CID 22519030

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1
InChIInChI=1S/C19H26N4O3S/c1-21(2)16-8-6-15(7-9-16)13-20-19(24)18-12-17(14-22(18)3)27(25,26)23-10-4-5-11-23/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,20,24)
InChIKeyJHUFIPPOEXCIPK-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.81
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519030) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519030
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1
InChIInChI=1S/C19H26N4O3S/c1-21(2)16-8-6-15(7-9-16)13-20-19(24)18-12-17(14-22(18)3)27(25,26)23-10-4-5-11-23/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,20,24)
InChIKeyJHUFIPPOEXCIPK-UHFFFAOYSA-N
XLogP1.81
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 22519030) is N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is JHUFIPPOEXCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-21(2)16-8-6-15(7-9-16)13-20-19(24)18-12-17(14-22(18)3)27(25,26)23-10-4-5-11-23/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).