2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid

C21H27NO6S — CID 70003352

IUPAC2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C21H27NO6S/c1-4-17(21(23)24)15-22(14-13-16-5-7-18(27-2)8-6-16)29(25,26)20-11-9-19(28-3)10-12-20/h5-12,17H,4,13-15H2,1-3H3,(H,23,24)
InChIKeyVMZDRMSJYHGDEE-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.05
Rot. Bonds11

About 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid

2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid (PubChem CID 70003352) has the molecular formula C21H27NO6S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid
PubChem CID70003352
Molecular FormulaC21H27NO6S
Molecular Weight421.52 g/mol
Exact Mass421.16
IUPAC Name2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C21H27NO6S/c1-4-17(21(23)24)15-22(14-13-16-5-7-18(27-2)8-6-16)29(25,26)20-11-9-19(28-3)10-12-20/h5-12,17H,4,13-15H2,1-3H3,(H,23,24)
InChIKeyVMZDRMSJYHGDEE-UHFFFAOYSA-N
XLogP3.05
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid with MolForge

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Related Compounds

ethyl prop-2-enoate;2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid
CID 70003351
methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate
CID 18678924
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid
CID 160847925
N-[(2E)-2-hydroxyiminoethyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 71531694
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide
CID 21211450
ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
CID 10834308
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
N-(2-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360434

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid?
The IUPAC name of 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid (CID 70003352) is 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid is CCC(CN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid?
The InChIKey is VMZDRMSJYHGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S/c1-4-17(21(23)24)15-22(14-13-16-5-7-18(27-2)8-6-16)29(25,26)20-11-9-19(28-3)10-12-20/h5-12,17H,4,13-15H2,1-3H3,(H,23,24).
What are the key properties of 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid?
2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid has a molecular weight of 421.52 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid is sourced from PubChem (CID 70003352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).