3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide

C20H20N4O4S — CID 55838147

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C20H20N4O4S/c1-15(25)16-6-8-19(9-7-16)29(27,28)22-12-10-20(26)23-17-4-2-5-18(14-17)24-13-3-11-21-24/h2-9,11,13-14,22H,10,12H2,1H3,(H,23,26)
InChIKeyXFVZSYAHTCEDOO-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.38
Rot. Bonds8

About 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide (PubChem CID 55838147) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
PubChem CID55838147
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C20H20N4O4S/c1-15(25)16-6-8-19(9-7-16)29(27,28)22-12-10-20(26)23-17-4-2-5-18(14-17)24-13-3-11-21-24/h2-9,11,13-14,22H,10,12H2,1H3,(H,23,26)
InChIKeyXFVZSYAHTCEDOO-UHFFFAOYSA-N
XLogP2.38
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858825
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369414
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 46975008
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 55766018
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide (CID 55838147) is 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide?
The InChIKey is XFVZSYAHTCEDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-15(25)16-6-8-19(9-7-16)29(27,28)22-12-10-20(26)23-17-4-2-5-18(14-17)24-13-3-11-21-24/h2-9,11,13-14,22H,10,12H2,1H3,(H,23,26).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide has a molecular weight of 412.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 55838147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).