(3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid

C18H22N2O5S — CID 89472566

IUPAC(3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid
SMILESCC[C@@H](CC(=O)O)NS(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-3-14(13-18(21)22)19-26(23,24)20(2)15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyPOYAYXUYYGBEBI-AWEZNQCLSA-N
MW378.45 g/mol
LogP3.00
Rot. Bonds9

About (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid

(3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid (PubChem CID 89472566) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid
PubChem CID89472566
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid
SMILESCC[C@@H](CC(=O)O)NS(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-3-14(13-18(21)22)19-26(23,24)20(2)15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyPOYAYXUYYGBEBI-AWEZNQCLSA-N
XLogP3.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]-4-(trimethylazaniumyl)butanoate
CID 25067152
[(2R)-3-carboxy-2-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]propyl]azanium
CID 145473524
(3R)-4-iodo-3-[[methyl-(4-octylphenyl)sulfamoyl]amino]butanoic acid
CID 145473522
N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2271012
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92681417
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681615
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681618
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid?
The IUPAC name of (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid (CID 89472566) is (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid.
What is the SMILES notation for (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid?
The canonical SMILES for (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid is CC[C@@H](CC(=O)O)NS(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid?
The InChIKey is POYAYXUYYGBEBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-14(13-18(21)22)19-26(23,24)20(2)15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid?
(3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid has a molecular weight of 378.45 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[methyl-(4-phenoxyphenyl)sulfamoyl]amino]pentanoic acid is sourced from PubChem (CID 89472566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).