(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid

C16H24N2O5S — CID 8893593

IUPAC(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C16H24N2O5S/c1-5-16(3,10-15(20)21)9-14(19)18-12-7-6-11(2)13(8-12)24(22,23)17-4/h6-8,17H,5,9-10H2,1-4H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyAUIRUOBIHFIVNP-MRXNPFEDSA-N
MW356.44 g/mol
LogP2.12
Rot. Bonds8

About (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid

(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid (PubChem CID 8893593) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid
PubChem CID8893593
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C16H24N2O5S/c1-5-16(3,10-15(20)21)9-14(19)18-12-7-6-11(2)13(8-12)24(22,23)17-4/h6-8,17H,5,9-10H2,1-4H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyAUIRUOBIHFIVNP-MRXNPFEDSA-N
XLogP2.12
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide
CID 81413513
(3R)-5-(3,4-dichloroanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
CID 8852326
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide
CID 81401246
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8914627
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
2-(3,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107151
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid (CID 8893593) is (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid is CC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is AUIRUOBIHFIVNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-5-16(3,10-15(20)21)9-14(19)18-12-7-6-11(2)13(8-12)24(22,23)17-4/h6-8,17H,5,9-10H2,1-4H3,(H,18,19)(H,20,21)/t16-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 356.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 8893593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).