(2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate

C21H20N2O6S — CID 127041850

IUPAC(2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate
SMILESCOc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccccc2OC)cc1
InChIInChI=1S/C21H20N2O6S/c1-27-17-12-14-18(15-13-17)30(25,26)23(22-16-8-4-3-5-9-16)21(24)29-20-11-7-6-10-19(20)28-2/h3-15,22H,1-2H3
InChIKeyZQUXMBZWIDYSOY-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.92
Rot. Bonds7

About (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate

(2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate (PubChem CID 127041850) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name(2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate
PubChem CID127041850
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name(2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate
SMILESCOc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccccc2OC)cc1
InChIInChI=1S/C21H20N2O6S/c1-27-17-12-14-18(15-13-17)30(25,26)23(22-16-8-4-3-5-9-16)21(24)29-20-11-7-6-10-19(20)28-2/h3-15,22H,1-2H3
InChIKeyZQUXMBZWIDYSOY-UHFFFAOYSA-N
XLogP3.92
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate
CID 127037917
1-anilino-3-(N-(4-methoxyphenyl)sulfonylanilino)urea
CID 3505064
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(3-chlorophenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126031125
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
N-(3,5-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 23911004
[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate
CID 1373230
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate?
The IUPAC name of (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate (CID 127041850) is (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate.
What is the SMILES notation for (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate?
The canonical SMILES for (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate is COc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccccc2OC)cc1.
What is the InChIKey of (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate?
The InChIKey is ZQUXMBZWIDYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-27-17-12-14-18(15-13-17)30(25,26)23(22-16-8-4-3-5-9-16)21(24)29-20-11-7-6-10-19(20)28-2/h3-15,22H,1-2H3.
What are the key properties of (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate?
(2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate has a molecular weight of 428.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate is sourced from PubChem (CID 127041850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).