N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide

C17H19N3O6S — CID 35542103

IUPACN-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1
InChIInChI=1S/C17H19N3O6S/c1-11-8-15(20(22)23)9-16(12(11)2)27(24,25)19-14-6-4-13(5-7-14)18-17(21)10-26-3/h4-9,19H,10H2,1-3H3,(H,18,21)
InChIKeyLRYBPKNSUMSBBR-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.60
Rot. Bonds7

About N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide

N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide (PubChem CID 35542103) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide
PubChem CID35542103
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC NameN-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1
InChIInChI=1S/C17H19N3O6S/c1-11-8-15(20(22)23)9-16(12(11)2)27(24,25)19-14-6-4-13(5-7-14)18-17(21)10-26-3/h4-9,19H,10H2,1-3H3,(H,18,21)
InChIKeyLRYBPKNSUMSBBR-UHFFFAOYSA-N
XLogP2.60
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide
CID 26487023
2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide
CID 35541901
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26488410
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 35544176
2,3-dimethyl-5-nitro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 24510066
N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 45351483
2,3-dimethyl-5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 87008464
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
4-[[4-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]benzamide
CID 30805411
N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 26527022
2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
CID 46568580

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide (CID 35542103) is N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1.
What is the InChIKey of N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide?
The InChIKey is LRYBPKNSUMSBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c1-11-8-15(20(22)23)9-16(12(11)2)27(24,25)19-14-6-4-13(5-7-14)18-17(21)10-26-3/h4-9,19H,10H2,1-3H3,(H,18,21).
What are the key properties of N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide?
N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide has a molecular weight of 393.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 35542103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).