(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate

C19H22NO7S- — CID 9119766

IUPAC(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO7S/c1-4-27-14-6-8-15(9-7-14)28(23,24)20-16(12-19(21)22)13-5-10-17(25-2)18(11-13)26-3/h5-11,16,20H,4,12H2,1-3H3,(H,21,22)/p-1/t16-/m1/s1
InChIKeyXUNZXMBZQVPTOP-MRXNPFEDSA-M
MW408.45 g/mol
LogP1.26
Rot. Bonds10

About (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate

(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate (PubChem CID 9119766) has the molecular formula C19H22NO7S- and a molecular weight of 408.45 g/mol. Its IUPAC name is (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate
PubChem CID9119766
Molecular FormulaC19H22NO7S-
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO7S/c1-4-27-14-6-8-15(9-7-14)28(23,24)20-16(12-19(21)22)13-5-10-17(25-2)18(11-13)26-3/h5-11,16,20H,4,12H2,1-3H3,(H,21,22)/p-1/t16-/m1/s1
InChIKeyXUNZXMBZQVPTOP-MRXNPFEDSA-M
XLogP1.26
TPSA113.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 1271809
3-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 651622
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 40917742
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate
CID 7323445
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 92698426
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CID 9119766) is (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate is CCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The InChIKey is XUNZXMBZQVPTOP-MRXNPFEDSA-M. The full InChI is InChI=1S/C19H23NO7S/c1-4-27-14-6-8-15(9-7-14)28(23,24)20-16(12-19(21)22)13-5-10-17(25-2)18(11-13)26-3/h5-11,16,20H,4,12H2,1-3H3,(H,21,22)/p-1/t16-/m1/s1.
What are the key properties of (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate has a molecular weight of 408.45 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 9119766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).