(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid

C15H22N2O5S — CID 119364417

IUPAC(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-23(21,22)12-7-5-11(6-8-12)14(18)17-13(15(19)20)9-10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyQUTAWVKRTMSJQJ-CYBMUJFWSA-N
MW342.42 g/mol
LogP1.21
Rot. Bonds8

About (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119364417) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119364417
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-23(21,22)12-7-5-11(6-8-12)14(18)17-13(15(19)20)9-10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyQUTAWVKRTMSJQJ-CYBMUJFWSA-N
XLogP1.21
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119361067
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
4-methyl-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 16794620
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid (CID 119364417) is (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid is CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is QUTAWVKRTMSJQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-16-23(21,22)12-7-5-11(6-8-12)14(18)17-13(15(19)20)9-10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 342.42 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).