N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide

C22H18N4O3S — CID 126474142

IUPACN-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H18N4O3S/c1-15(27)25-19-8-4-7-18(13-19)21-22(24-12-11-23-21)26-30(28,29)20-10-9-16-5-2-3-6-17(16)14-20/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeyHJLSYDJYWOHWGU-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.06
Rot. Bonds5

About N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide

N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 126474142) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide
PubChem CID126474142
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H18N4O3S/c1-15(27)25-19-8-4-7-18(13-19)21-22(24-12-11-23-21)26-30(28,29)20-10-9-16-5-2-3-6-17(16)14-20/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeyHJLSYDJYWOHWGU-UHFFFAOYSA-N
XLogP4.06
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
CID 139878374
N-[3-(trifluoromethyl)-2-pyridinyl]naphthalene-2-sulfonamide
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N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990181
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide (CID 126474142) is N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccnc2NS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is HJLSYDJYWOHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-15(27)25-19-8-4-7-18(13-19)21-22(24-12-11-23-21)26-30(28,29)20-10-9-16-5-2-3-6-17(16)14-20/h2-14H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 418.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 126474142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).