N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

C21H25N3O3S — CID 27533051

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3S/c1-22-28(26,27)16-18-9-7-17(8-10-18)15-23-21(25)24-13-11-20(12-14-24)19-5-3-2-4-6-19/h2-11,22H,12-16H2,1H3,(H,23,25)
InChIKeyVUFKREAWHMMMRB-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.73
Rot. Bonds6

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 27533051) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID27533051
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3S/c1-22-28(26,27)16-18-9-7-17(8-10-18)15-23-21(25)24-13-11-20(12-14-24)19-5-3-2-4-6-19/h2-11,22H,12-16H2,1H3,(H,23,25)
InChIKeyVUFKREAWHMMMRB-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 38882796
N'-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263541
N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 49262790
N-[[4-(methoxymethyl)phenyl]methyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263113
N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263359
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346
1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 33116947
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
CID 46486002
N-methyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131233
N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide
CID 75514098
4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
CID 108899617
N'-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263779

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 27533051) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is VUFKREAWHMMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-22-28(26,27)16-18-9-7-17(8-10-18)15-23-21(25)24-13-11-20(12-14-24)19-5-3-2-4-6-19/h2-11,22H,12-16H2,1H3,(H,23,25).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 27533051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).