2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide

C19H21N3O5S — CID 52662793

IUPAC2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(14-15-8-2-4-10-17(15)22(24)25)20-16-9-3-5-11-18(16)28(26,27)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)
InChIKeyIMXDKOZAWBSLDH-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.95
Rot. Bonds6

About 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 52662793) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID52662793
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(14-15-8-2-4-10-17(15)22(24)25)20-16-9-3-5-11-18(16)28(26,27)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)
InChIKeyIMXDKOZAWBSLDH-UHFFFAOYSA-N
XLogP2.95
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.95
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-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55921108
4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549411
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351
N-(2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655894
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55919689
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide
CID 24620463
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
4-nitro-3-[(2-piperidin-1-ylsulfonylphenyl)methylamino]benzonitrile
CID 133479013
N-(2-aminophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119422117
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide (CID 52662793) is 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IMXDKOZAWBSLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-19(14-15-8-2-4-10-17(15)22(24)25)20-16-9-3-5-11-18(16)28(26,27)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-14H2,(H,20,23).
What are the key properties of 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 52662793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).