N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

C22H26N4O7S — CID 24980204

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C22H26N4O7S/c1-16-2-4-18(34(30,31)25-8-12-33-13-9-25)15-20(16)23-22(27)19-14-17(26(28)29)3-5-21(19)24-6-10-32-11-7-24/h2-5,14-15H,6-13H2,1H3,(H,23,27)
InChIKeyZXUIPZXJCRMAJH-UHFFFAOYSA-N
MW490.54 g/mol
LogP2.01
Rot. Bonds6

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 24980204) has the molecular formula C22H26N4O7S and a molecular weight of 490.54 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID24980204
Molecular FormulaC22H26N4O7S
Molecular Weight490.54 g/mol
Exact Mass490.15
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C22H26N4O7S/c1-16-2-4-18(34(30,31)25-8-12-33-13-9-25)15-20(16)23-22(27)19-14-17(26(28)29)3-5-21(19)24-6-10-32-11-7-24/h2-5,14-15H,6-13H2,1H3,(H,23,27)
InChIKeyZXUIPZXJCRMAJH-UHFFFAOYSA-N
XLogP2.01
TPSA131.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 52.01
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 24980204) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is ZXUIPZXJCRMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O7S/c1-16-2-4-18(34(30,31)25-8-12-33-13-9-25)15-20(16)23-22(27)19-14-17(26(28)29)3-5-21(19)24-6-10-32-11-7-24/h2-5,14-15H,6-13H2,1H3,(H,23,27).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 490.54 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 24980204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).