N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide

C22H19N3O4S — CID 55767178

IUPACN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C22H19N3O4S/c1-2-13-23-30(28,29)20-7-5-6-18(15-20)22(27)24-19-11-9-17(10-12-19)16-25-14-4-3-8-21(25)26/h1,3-12,14-15,23H,13,16H2,(H,24,27)
InChIKeyTWEONALGEJVHPX-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.06
Rot. Bonds7

About N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55767178) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55767178
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C22H19N3O4S/c1-2-13-23-30(28,29)20-7-5-6-18(15-20)22(27)24-19-11-9-17(10-12-19)16-25-14-4-3-8-21(25)26/h1,3-12,14-15,23H,13,16H2,(H,24,27)
InChIKeyTWEONALGEJVHPX-UHFFFAOYSA-N
XLogP2.06
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
4-methoxy-3-(methylsulfamoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55855260
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55858708
3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881988
3-(prop-2-ynylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 46468352

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 55767178) is N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is TWEONALGEJVHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-2-13-23-30(28,29)20-7-5-6-18(15-20)22(27)24-19-11-9-17(10-12-19)16-25-14-4-3-8-21(25)26/h1,3-12,14-15,23H,13,16H2,(H,24,27).
What are the key properties of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 421.48 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55767178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).