N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide

C16H18N4O6S — CID 17066746

IUPACN-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N4O6S/c1-26-15-8-12(20(22)23)4-7-14(15)19-16(21)10-18-9-11-2-5-13(6-3-11)27(17,24)25/h2-8,18H,9-10H2,1H3,(H,19,21)(H2,17,24,25)
InChIKeySTVFMUQMXLMIQQ-UHFFFAOYSA-N
MW394.41 g/mol
LogP0.98
Rot. Bonds8

About N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide (PubChem CID 17066746) has the molecular formula C16H18N4O6S and a molecular weight of 394.41 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
PubChem CID17066746
Molecular FormulaC16H18N4O6S
Molecular Weight394.41 g/mol
Exact Mass394.09
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N4O6S/c1-26-15-8-12(20(22)23)4-7-14(15)19-16(21)10-18-9-11-2-5-13(6-3-11)27(17,24)25/h2-8,18H,9-10H2,1H3,(H,19,21)(H2,17,24,25)
InChIKeySTVFMUQMXLMIQQ-UHFFFAOYSA-N
XLogP0.98
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 50.98
H-Bond Donors ≤ 53
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

N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066743
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644003
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108512912
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
methyl (2S)-2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]-2-phenylacetate
CID 52527061
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778305

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide (CID 17066746) is N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CNCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The InChIKey is STVFMUQMXLMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6S/c1-26-15-8-12(20(22)23)4-7-14(15)19-16(21)10-18-9-11-2-5-13(6-3-11)27(17,24)25/h2-8,18H,9-10H2,1H3,(H,19,21)(H2,17,24,25).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide?
N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide has a molecular weight of 394.41 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide is sourced from PubChem (CID 17066746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).