4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

C21H26N4O6S — CID 55919689

IUPAC4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H26N4O6S/c1-31-14-11-22-17-10-9-16(15-19(17)25(27)28)21(26)23-18-7-3-4-8-20(18)32(29,30)24-12-5-2-6-13-24/h3-4,7-10,15,22H,2,5-6,11-14H2,1H3,(H,23,26)
InChIKeyMZRSARLXWNHRNI-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.08
Rot. Bonds9

About 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 55919689) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID55919689
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H26N4O6S/c1-31-14-11-22-17-10-9-16(15-19(17)25(27)28)21(26)23-18-7-3-4-8-20(18)32(29,30)24-12-5-2-6-13-24/h3-4,7-10,15,22H,2,5-6,11-14H2,1H3,(H,23,26)
InChIKeyMZRSARLXWNHRNI-UHFFFAOYSA-N
XLogP3.08
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549411
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
CID 27826692
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
4-methyl-N-[2-(2-nitroanilino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 41275493
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 26721757
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55538481

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (CID 55919689) is 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is COCCNc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is MZRSARLXWNHRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-31-14-11-22-17-10-9-16(15-19(17)25(27)28)21(26)23-18-7-3-4-8-20(18)32(29,30)24-12-5-2-6-13-24/h3-4,7-10,15,22H,2,5-6,11-14H2,1H3,(H,23,26).
What are the key properties of 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 462.53 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55919689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).