(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid

C17H19NO5S — CID 674533

IUPAC(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-12-3-9-15(10-4-12)24(21,22)18-16(11-17(19)20)13-5-7-14(23-2)8-6-13/h3-10,16,18H,11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyPQGPQQVCVMNUQP-INIZCTEOSA-N
MW349.41 g/mol
LogP2.50
Rot. Bonds7

About (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid

(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 674533) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
PubChem CID674533
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-12-3-9-15(10-4-12)24(21,22)18-16(11-17(19)20)13-5-7-14(23-2)8-6-13/h3-10,16,18H,11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyPQGPQQVCVMNUQP-INIZCTEOSA-N
XLogP2.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 651622
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-octylpropanamide
CID 46371459
(3S)-N-heptyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98363690
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 1271809
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid
CID 9267903
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid (CID 674533) is (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid is COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is PQGPQQVCVMNUQP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-3-9-15(10-4-12)24(21,22)18-16(11-17(19)20)13-5-7-14(23-2)8-6-13/h3-10,16,18H,11H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid?
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 349.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 674533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).