4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid

C16H24N2O5S — CID 120546631

IUPAC4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
SMILESCCS(=O)(=O)N(C)CC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H24N2O5S/c1-3-24(22,23)18(2)12-15(19)17-14(9-10-16(20)21)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYVUHYERAONSWPB-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.86
Rot. Bonds10

About 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid

4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid (PubChem CID 120546631) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
PubChem CID120546631
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
SMILESCCS(=O)(=O)N(C)CC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H24N2O5S/c1-3-24(22,23)18(2)12-15(19)17-14(9-10-16(20)21)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYVUHYERAONSWPB-UHFFFAOYSA-N
XLogP0.86
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120547199
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
CID 122009996
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-5-phenylpentanoic acid
CID 120690180

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid (CID 120546631) is 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid is CCS(=O)(=O)N(C)CC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid?
The InChIKey is YVUHYERAONSWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-3-24(22,23)18(2)12-15(19)17-14(9-10-16(20)21)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid?
4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid has a molecular weight of 356.44 g/mol, XLogP of 0.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).