2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid

C16H24N2O5S — CID 119253441

IUPAC2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NCC(CC(C)C)C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-4-24(22,23)18-14-8-6-5-7-13(14)15(19)17-10-12(16(20)21)9-11(2)3/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyFFCBBKFMFSHELZ-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.92
Rot. Bonds9

About 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid

2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119253441) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119253441
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NCC(CC(C)C)C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-4-24(22,23)18-14-8-6-5-7-13(14)15(19)17-10-12(16(20)21)9-11(2)3/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyFFCBBKFMFSHELZ-UHFFFAOYSA-N
XLogP1.92
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 122108013
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid (CID 119253441) is 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid is CCS(=O)(=O)Nc1ccccc1C(=O)NCC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is FFCBBKFMFSHELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-24(22,23)18-14-8-6-5-7-13(14)15(19)17-10-12(16(20)21)9-11(2)3/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 356.44 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119253441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).