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

C15H22N2O5S — CID 119204037

IUPAC4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-23(21,22)12-7-5-11(6-8-12)14(20)17-15(2,3)10-9-13(18)19/h5-8,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWCQFUVSKTQNAIP-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.36
Rot. Bonds8

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

4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119204037) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119204037
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-23(21,22)12-7-5-11(6-8-12)14(20)17-15(2,3)10-9-13(18)19/h5-8,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWCQFUVSKTQNAIP-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119203959
4-methyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]pentanoic acid
CID 119203601
N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
CID 49416341
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
4-[(4-ethyl-3-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 119203738
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid (CID 119204037) is 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid is CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is WCQFUVSKTQNAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-16-23(21,22)12-7-5-11(6-8-12)14(20)17-15(2,3)10-9-13(18)19/h5-8,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid?
4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 342.42 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119204037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).