N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide

C30H26N6O5S — CID 18951891

IUPACN-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H26N6O5S/c1-21(37)32-30(33-23-13-5-2-6-14-23)28(34-36(29(30)39)25-16-7-3-8-17-25)31-27(38)22-12-11-15-24(20-22)35-42(40,41)26-18-9-4-10-19-26/h2-20,33,35H,1H3,(H,32,37)(H,31,34,38)
InChIKeyNVJASPASTCWFOY-UHFFFAOYSA-N
MW582.64 g/mol
LogP3.52
Rot. Bonds8

About N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide

N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide (PubChem CID 18951891) has the molecular formula C30H26N6O5S and a molecular weight of 582.64 g/mol. Its IUPAC name is N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide.

Molecular Properties

Compound NameN-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide
PubChem CID18951891
Molecular FormulaC30H26N6O5S
Molecular Weight582.64 g/mol
Exact Mass582.17
IUPAC NameN-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide
SMILESCC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H26N6O5S/c1-21(37)32-30(33-23-13-5-2-6-14-23)28(34-36(29(30)39)25-16-7-3-8-17-25)31-27(38)22-12-11-15-24(20-22)35-42(40,41)26-18-9-4-10-19-26/h2-20,33,35H,1H3,(H,32,37)(H,31,34,38)
InChIKeyNVJASPASTCWFOY-UHFFFAOYSA-N
XLogP3.52
TPSA149.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.64
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3,4,5-trichlorobenzamide;N-ethylethanamine
CID 18951918
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide?
The IUPAC name of N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide (CID 18951891) is N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide.
What is the SMILES notation for N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide?
The canonical SMILES for N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide is CC(=O)NC1(Nc2ccccc2)C(=O)N(c2ccccc2)N=C1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide?
The InChIKey is NVJASPASTCWFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O5S/c1-21(37)32-30(33-23-13-5-2-6-14-23)28(34-36(29(30)39)25-16-7-3-8-17-25)31-27(38)22-12-11-15-24(20-22)35-42(40,41)26-18-9-4-10-19-26/h2-20,33,35H,1H3,(H,32,37)(H,31,34,38).
What are the key properties of N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide?
N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide has a molecular weight of 582.64 g/mol, XLogP of 3.52, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-(benzenesulfonamido)benzamide is sourced from PubChem (CID 18951891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).