(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate

C15H21N2O5S- — CID 9441550

IUPAC(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-]
InChIInChI=1S/C15H22N2O5S/c1-10(2)9-13(15(19)20)16-14(18)11-5-7-12(8-6-11)23(21,22)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,18)(H,19,20)/p-1/t13-/m1/s1
InChIKeyREYIJKFOYHUVPX-CYBMUJFWSA-M
MW341.41 g/mol
LogP-0.17
Rot. Bonds7

About (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate

(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate (PubChem CID 9441550) has the molecular formula C15H21N2O5S- and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate
PubChem CID9441550
Molecular FormulaC15H21N2O5S-
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-]
InChIInChI=1S/C15H22N2O5S/c1-10(2)9-13(15(19)20)16-14(18)11-5-7-12(8-6-11)23(21,22)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,18)(H,19,20)/p-1/t13-/m1/s1
InChIKeyREYIJKFOYHUVPX-CYBMUJFWSA-M
XLogP-0.17
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351370
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
(2R)-2-[(4-bromobenzoyl)amino]-4-methylpentanoate
CID 7698415
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-4-methylpentanoate
CID 9402257
methyl (2S)-4-methyl-2-[(4-methylsulfonylbenzoyl)amino]pentanoate
CID 2532850
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119364417
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate?
The IUPAC name of (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate (CID 9441550) is (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate.
What is the SMILES notation for (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate?
The canonical SMILES for (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate is CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-].
What is the InChIKey of (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate?
The InChIKey is REYIJKFOYHUVPX-CYBMUJFWSA-M. The full InChI is InChI=1S/C15H22N2O5S/c1-10(2)9-13(15(19)20)16-14(18)11-5-7-12(8-6-11)23(21,22)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,18)(H,19,20)/p-1/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate?
(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate has a molecular weight of 341.41 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 9441550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).