N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C23H28N4O3S — CID 38262529

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)n(C)c1
InChIInChI=1S/C23H28N4O3S/c1-24-31(29,30)20-13-22(27(4)16-20)23(28)25-14-19-7-5-6-8-21(19)18-11-9-17(10-12-18)15-26(2)3/h5-13,16,24H,14-15H2,1-4H3,(H,25,28)
InChIKeyBVXKFPRDKNXFNE-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.59
Rot. Bonds8

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 38262529) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID38262529
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)n(C)c1
InChIInChI=1S/C23H28N4O3S/c1-24-31(29,30)20-13-22(27(4)16-20)23(28)25-14-19-7-5-6-8-21(19)18-11-9-17(10-12-18)15-26(2)3/h5-13,16,24H,14-15H2,1-4H3,(H,25,28)
InChIKeyBVXKFPRDKNXFNE-UHFFFAOYSA-N
XLogP2.59
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 38330323
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 47066182
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24661038
N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34376886
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55747194
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55549176
2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide
CID 24661064
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38262519

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 38262529) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)n(C)c1.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is BVXKFPRDKNXFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-24-31(29,30)20-13-22(27(4)16-20)23(28)25-14-19-7-5-6-8-21(19)18-11-9-17(10-12-18)15-26(2)3/h5-13,16,24H,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 38262529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).