2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide

C23H23N3O5S — CID 1319342

IUPAC2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H23N3O5S/c1-17(2)19-12-6-7-13-20(19)24-23(27)16-25(18-10-4-3-5-11-18)32(30,31)22-15-9-8-14-21(22)26(28)29/h3-15,17H,16H2,1-2H3,(H,24,27)
InChIKeyOQJNEEDPUOMHBF-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.55
Rot. Bonds8

About 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide

2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 1319342) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID1319342
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H23N3O5S/c1-17(2)19-12-6-7-13-20(19)24-23(27)16-25(18-10-4-3-5-11-18)32(30,31)22-15-9-8-14-21(22)26(28)29/h3-15,17H,16H2,1-2H3,(H,24,27)
InChIKeyOQJNEEDPUOMHBF-UHFFFAOYSA-N
XLogP4.55
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126154891
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1316008
4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51345106
N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
N-(3-methylsulfanylphenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1320235
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173681
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43879296
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588758

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide (CID 1319342) is 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is OQJNEEDPUOMHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-17(2)19-12-6-7-13-20(19)24-23(27)16-25(18-10-4-3-5-11-18)32(30,31)22-15-9-8-14-21(22)26(28)29/h3-15,17H,16H2,1-2H3,(H,24,27).
What are the key properties of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide?
2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 453.52 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1319342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).