N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

C23H28N4O7S — CID 16959342

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C23H28N4O7S/c1-33-22-8-6-18(35(31,32)26-9-3-2-4-10-26)16-20(22)24-23(28)19-15-17(27(29)30)5-7-21(19)25-11-13-34-14-12-25/h5-8,15-16H,2-4,9-14H2,1H3,(H,24,28)
InChIKeyDJUHNKOWVVDWOF-UHFFFAOYSA-N
MW504.57 g/mol
LogP2.87
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 16959342) has the molecular formula C23H28N4O7S and a molecular weight of 504.57 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID16959342
Molecular FormulaC23H28N4O7S
Molecular Weight504.57 g/mol
Exact Mass504.17
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C23H28N4O7S/c1-33-22-8-6-18(35(31,32)26-9-3-2-4-10-26)16-20(22)24-23(28)19-15-17(27(29)30)5-7-21(19)25-11-13-34-14-12-25/h5-8,15-16H,2-4,9-14H2,1H3,(H,24,28)
InChIKeyDJUHNKOWVVDWOF-UHFFFAOYSA-N
XLogP2.87
TPSA131.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide 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

CID 1109506
CID 1109506
CID 2404318
CID 2404318
CID 2916139
CID 2916139
CID 3985673
CID 3985673
CID 4838760
CID 4838760
CID 4849688
CID 4849688
CID 5084767
CID 5084767
CID 6461849
CID 6461849
CID 16304816
CID 16304816
CID 135802886
CID 135802886
CID 2980049
CID 2980049
CID 2793006
CID 2793006

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 16959342) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is DJUHNKOWVVDWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O7S/c1-33-22-8-6-18(35(31,32)26-9-3-2-4-10-26)16-20(22)24-23(28)19-15-17(27(29)30)5-7-21(19)25-11-13-34-14-12-25/h5-8,15-16H,2-4,9-14H2,1H3,(H,24,28).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 504.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 16959342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).