N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

C16H16N4O8S — CID 17192871

IUPACN-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N4O8S/c1-28-12-4-7-14(15(10-12)20(24)25)18-16(21)8-9-17-29(26,27)13-5-2-11(3-6-13)19(22)23/h2-7,10,17H,8-9H2,1H3,(H,18,21)
InChIKeyLZXYFJSXYIEDGJ-UHFFFAOYSA-N
MW424.39 g/mol
LogP1.82
Rot. Bonds9

About N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 17192871) has the molecular formula C16H16N4O8S and a molecular weight of 424.39 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID17192871
Molecular FormulaC16H16N4O8S
Molecular Weight424.39 g/mol
Exact Mass424.07
IUPAC NameN-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N4O8S/c1-28-12-4-7-14(15(10-12)20(24)25)18-16(21)8-9-17-29(26,27)13-5-2-11(3-6-13)19(22)23/h2-7,10,17H,8-9H2,1H3,(H,18,21)
InChIKeyLZXYFJSXYIEDGJ-UHFFFAOYSA-N
XLogP1.82
TPSA170.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192805
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 17225629
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192977
2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7544866
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 16648625
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 17192871) is N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is LZXYFJSXYIEDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O8S/c1-28-12-4-7-14(15(10-12)20(24)25)18-16(21)8-9-17-29(26,27)13-5-2-11(3-6-13)19(22)23/h2-7,10,17H,8-9H2,1H3,(H,18,21).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 424.39 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).