2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide

C20H24N4O6S — CID 24584061

IUPAC2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O6S/c1-22(2)18-8-7-16(24(26)27)13-17(18)20(25)21-14-15-5-3-4-6-19(15)31(28,29)23-9-11-30-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)
InChIKeyATCVJZTZSNGYND-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.61
Rot. Bonds7

About 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide

2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide (PubChem CID 24584061) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide
PubChem CID24584061
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O6S/c1-22(2)18-8-7-16(24(26)27)13-17(18)20(25)21-14-15-5-3-4-6-19(15)31(28,29)23-9-11-30-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)
InChIKeyATCVJZTZSNGYND-UHFFFAOYSA-N
XLogP1.61
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
2-(dimethylamino)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-5-nitrobenzamide
CID 36532677
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167940
2-(dimethylamino)-N-[(4-methylsulfonylphenyl)methyl]-5-nitrobenzamide
CID 60553619
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 17442191
4-(2-ethyl-5-nitrophenyl)sulfonylmorpholine
CID 47454150
4-bromo-3-morpholin-4-ylsulfonyl-N-[(2-nitrophenyl)methyl]benzamide
CID 55798882

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide (CID 24584061) is 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide?
The InChIKey is ATCVJZTZSNGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S/c1-22(2)18-8-7-16(24(26)27)13-17(18)20(25)21-14-15-5-3-4-6-19(15)31(28,29)23-9-11-30-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide?
2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide has a molecular weight of 448.50 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 24584061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).