[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate

C20H19NO5S2 — CID 7921898

IUPAC[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)Cc3cccs3)cc2)cc1
InChIInChI=1S/C20H19NO5S2/c1-21(28(23,24)19-11-9-16(25-2)10-12-19)15-5-7-17(8-6-15)26-20(22)14-18-4-3-13-27-18/h3-13H,14H2,1-2H3
InChIKeyLEDRJKKCUKHQML-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.73
Rot. Bonds7

About [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate

[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate (PubChem CID 7921898) has the molecular formula C20H19NO5S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
PubChem CID7921898
Molecular FormulaC20H19NO5S2
Molecular Weight417.51 g/mol
Exact Mass417.07
IUPAC Name[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)Cc3cccs3)cc2)cc1
InChIInChI=1S/C20H19NO5S2/c1-21(28(23,24)19-11-9-16(25-2)10-12-19)15-5-7-17(8-6-15)26-20(22)14-18-4-3-13-27-18/h3-13H,14H2,1-2H3
InChIKeyLEDRJKKCUKHQML-UHFFFAOYSA-N
XLogP3.73
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3-thiophen-2-ylprop-2-enoate
CID 4813559
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate
CID 4813561
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46391720
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 16550880
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6242299
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 16557201
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate?
The IUPAC name of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate (CID 7921898) is [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate is COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)Cc3cccs3)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate?
The InChIKey is LEDRJKKCUKHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S2/c1-21(28(23,24)19-11-9-16(25-2)10-12-19)15-5-7-17(8-6-15)26-20(22)14-18-4-3-13-27-18/h3-13H,14H2,1-2H3.
What are the key properties of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate?
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate has a molecular weight of 417.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 7921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).