2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide

C22H21N3O7S — CID 24621801

IUPAC2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C22H21N3O7S/c1-24(33(29,30)21-13-12-17(32-3)14-20(21)25(27)28)19-7-5-4-6-18(19)22(26)23-15-8-10-16(31-2)11-9-15/h4-14H,1-3H3,(H,23,26)
InChIKeyMWDJHJGCAILPLR-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.69
Rot. Bonds8

About 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide

2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide (PubChem CID 24621801) has the molecular formula C22H21N3O7S and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
PubChem CID24621801
Molecular FormulaC22H21N3O7S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C22H21N3O7S/c1-24(33(29,30)21-13-12-17(32-3)14-20(21)25(27)28)19-7-5-4-6-18(19)22(26)23-15-8-10-16(31-2)11-9-15/h4-14H,1-3H3,(H,23,26)
InChIKeyMWDJHJGCAILPLR-UHFFFAOYSA-N
XLogP3.69
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxyethoxy)phenyl]sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 30867735
2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 17427772
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
CID 7267049
N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide
CID 175215120
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 47847255
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
N-(1-hydroxypropan-2-yl)-4-methoxy-N-methyl-2-nitrobenzenesulfonamide
CID 115776367
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 31070036
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 18274871

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide (CID 24621801) is 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is MWDJHJGCAILPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O7S/c1-24(33(29,30)21-13-12-17(32-3)14-20(21)25(27)28)19-7-5-4-6-18(19)22(26)23-15-8-10-16(31-2)11-9-15/h4-14H,1-3H3,(H,23,26).
What are the key properties of 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide?
2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 471.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 24621801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).