(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid

C21H21N3O6S — CID 40583056

IUPAC(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H21N3O6S/c1-14-11-19(23-30-14)24-31(28,29)18-9-7-17(8-10-18)22-20(25)12-16(13-21(26)27)15-5-3-2-4-6-15/h2-11,16H,12-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t16-/m1/s1
InChIKeyIWGQTYOENVVRAI-MRXNPFEDSA-N
MW443.48 g/mol
LogP3.37
Rot. Bonds9

About (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid

(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid (PubChem CID 40583056) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid
PubChem CID40583056
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC Name(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H21N3O6S/c1-14-11-19(23-30-14)24-31(28,29)18-9-7-17(8-10-18)22-20(25)12-16(13-21(26)27)15-5-3-2-4-6-15/h2-11,16H,12-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t16-/m1/s1
InChIKeyIWGQTYOENVVRAI-MRXNPFEDSA-N
XLogP3.37
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-naphthalen-2-ylacetamide
CID 53255376
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate
CID 22215162
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2130230
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 141317866
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2950699
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1108217

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid (CID 40583056) is (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)cc2)no1.
What is the InChIKey of (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid?
The InChIKey is IWGQTYOENVVRAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-14-11-19(23-30-14)24-31(28,29)18-9-7-17(8-10-18)22-20(25)12-16(13-21(26)27)15-5-3-2-4-6-15/h2-11,16H,12-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t16-/m1/s1.
What are the key properties of (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid?
(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid has a molecular weight of 443.48 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 40583056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).