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

C17H19N3O7S — CID 17192805

IUPACN-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C17H19N3O7S/c1-26-13-5-8-15(16(11-13)27-2)19-17(21)9-10-18-28(24,25)14-6-3-12(4-7-14)20(22)23/h3-8,11,18H,9-10H2,1-2H3,(H,19,21)
InChIKeyXRMTVZPUDZYTMT-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.92
Rot. Bonds9

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

N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 17192805) has the molecular formula C17H19N3O7S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID17192805
Molecular FormulaC17H19N3O7S
Molecular Weight409.42 g/mol
Exact Mass409.09
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C17H19N3O7S/c1-26-13-5-8-15(16(11-13)27-2)19-17(21)9-10-18-28(24,25)14-6-3-12(4-7-14)20(22)23/h3-8,11,18H,9-10H2,1-2H3,(H,19,21)
InChIKeyXRMTVZPUDZYTMT-UHFFFAOYSA-N
XLogP1.92
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192871
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 17225629
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602437
N-(2,4-dimethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 27253650
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192977
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 18586327
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 17192805) is N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is XRMTVZPUDZYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S/c1-26-13-5-8-15(16(11-13)27-2)19-17(21)9-10-18-28(24,25)14-6-3-12(4-7-14)20(22)23/h3-8,11,18H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 409.42 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).