(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid

C20H24N2O6S — CID 7044809

IUPAC(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-12-28-17-8-4-15(5-9-17)19(13-20(24)25)22-29(26,27)18-10-6-16(7-11-18)21-14(2)23/h4-11,19,22H,3,12-13H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1
InChIKeyOQQITEAAWXLNRZ-LJQANCHMSA-N
MW420.49 g/mol
LogP2.93
Rot. Bonds10

About (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid

(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid (PubChem CID 7044809) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid
PubChem CID7044809
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-12-28-17-8-4-15(5-9-17)19(13-20(24)25)22-29(26,27)18-10-6-16(7-11-18)21-14(2)23/h4-11,19,22H,3,12-13H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1
InChIKeyOQQITEAAWXLNRZ-LJQANCHMSA-N
XLogP2.93
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3237642
(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1262069
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate
CID 7323445
(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 2459105
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
(3S)-3-benzamido-3-(4-propoxyphenyl)propanoic acid
CID 7044624
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
2-(4-methylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55323838

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid (CID 7044809) is (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid is CCCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid?
The InChIKey is OQQITEAAWXLNRZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-12-28-17-8-4-15(5-9-17)19(13-20(24)25)22-29(26,27)18-10-6-16(7-11-18)21-14(2)23/h4-11,19,22H,3,12-13H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1.
What are the key properties of (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid?
(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid has a molecular weight of 420.49 g/mol, XLogP of 2.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 7044809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).