methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate

C17H18N2O8S — CID 997555

IUPACmethyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O8S/c1-25-12-8-9-13(15(10-12)26-2)18(11-17(20)27-3)28(23,24)16-7-5-4-6-14(16)19(21)22/h4-10H,11H2,1-3H3
InChIKeyFZOFYRLGMSKDQQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.98
Rot. Bonds8

About methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate

methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate (PubChem CID 997555) has the molecular formula C17H18N2O8S and a molecular weight of 410.40 g/mol. Its IUPAC name is methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
PubChem CID997555
Molecular FormulaC17H18N2O8S
Molecular Weight410.40 g/mol
Exact Mass410.08
IUPAC Namemethyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O8S/c1-25-12-8-9-13(15(10-12)26-2)18(11-17(20)27-3)28(23,24)16-7-5-4-6-14(16)19(21)22/h4-10H,11H2,1-3H3
InChIKeyFZOFYRLGMSKDQQ-UHFFFAOYSA-N
XLogP1.98
TPSA125.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
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

2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]ethyl]acetamide
CID 43891797
N-[(2R)-butan-2-yl]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 40631968
N-benzyl-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 997499
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(4-methylphenyl)acetamide
CID 997549
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]propyl]acetamide
CID 43891798
N-(2-tert-butylsulfanylethyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 3467263
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43891779
N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588789
N-benzyl-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-methylacetamide
CID 1102369
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1117129
N-(2-benzylsulfanylethyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 51345114
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26771886

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate (CID 997555) is methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate is COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate?
The InChIKey is FZOFYRLGMSKDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O8S/c1-25-12-8-9-13(15(10-12)26-2)18(11-17(20)27-3)28(23,24)16-7-5-4-6-14(16)19(21)22/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate?
methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate has a molecular weight of 410.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 997555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).