N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide

C20H19N3O3S — CID 1088545

IUPACN-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15(24)22-18-6-8-20(9-7-18)27(25,26)23-19-4-2-16(3-5-19)14-17-10-12-21-13-11-17/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyVFHSYBZRZWHRLI-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.43
Rot. Bonds6

About N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 1088545) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID1088545
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15(24)22-18-6-8-20(9-7-18)27(25,26)23-19-4-2-16(3-5-19)14-17-10-12-21-13-11-17/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyVFHSYBZRZWHRLI-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
(1s,2s)-N-[4-(Phenylsulfonyl)phenyl]-2-(Pyridin-3-Yl)cyclopropanecarboxamide
CID 71720911
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7h
CID 44520904
Sulfonamide deriv., 7i
CID 44520905
(E)-2-fluoro-3-[3-(N'-methylcarbamimidoyl)phenyl]-N-[4-(3-sulfamoyl-4-pyridinyl)phenyl]but-2-enamide
CID 44304970
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide (CID 1088545) is N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is VFHSYBZRZWHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15(24)22-18-6-8-20(9-7-18)27(25,26)23-19-4-2-16(3-5-19)14-17-10-12-21-13-11-17/h2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1088545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).