N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide

C16H18N4O4S — CID 108574450

IUPACN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-12(21)20-14-2-4-15(5-3-14)25(23,24)19-11-10-18-16(22)13-6-8-17-9-7-13/h2-9,19H,10-11H2,1H3,(H,18,22)(H,20,21)
InChIKeyOHLDGJFPYRMCNQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.75
Rot. Bonds7

About N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide (PubChem CID 108574450) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide
PubChem CID108574450
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-12(21)20-14-2-4-15(5-3-14)25(23,24)19-11-10-18-16(22)13-6-8-17-9-7-13/h2-9,19H,10-11H2,1H3,(H,18,22)(H,20,21)
InChIKeyOHLDGJFPYRMCNQ-UHFFFAOYSA-N
XLogP0.75
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
CID 108574896
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide
CID 108574692
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574942
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993213
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide (CID 108574450) is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide?
The InChIKey is OHLDGJFPYRMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-12(21)20-14-2-4-15(5-3-14)25(23,24)19-11-10-18-16(22)13-6-8-17-9-7-13/h2-9,19H,10-11H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide?
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108574450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).