methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate

C17H19NO6S — CID 3721813

IUPACmethyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H19NO6S/c1-22-14-10-9-13(11-15(14)23-2)25(20,21)18-16(17(19)24-3)12-7-5-4-6-8-12/h4-11,16,18H,1-3H3
InChIKeyDGRMMSQCTXESBN-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.90
Rot. Bonds7

About methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate

methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate (PubChem CID 3721813) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
PubChem CID3721813
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namemethyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H19NO6S/c1-22-14-10-9-13(11-15(14)23-2)25(20,21)18-16(17(19)24-3)12-7-5-4-6-8-12/h4-11,16,18H,1-3H3
InChIKeyDGRMMSQCTXESBN-UHFFFAOYSA-N
XLogP1.90
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 6734824
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
methyl (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242314
methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310
methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate (CID 3721813) is methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate is COC(=O)C(NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is DGRMMSQCTXESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-14-10-9-13(11-15(14)23-2)25(20,21)18-16(17(19)24-3)12-7-5-4-6-8-12/h4-11,16,18H,1-3H3.
What are the key properties of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate?
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate has a molecular weight of 365.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 3721813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).