4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid

C16H23NO5S — CID 119203959

IUPAC4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C16H23NO5S/c1-11(2)23(21,22)13-7-5-12(6-8-13)15(20)17-16(3,4)10-9-14(18)19/h5-8,11H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyUIWDZWRUYMGHHU-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.24
Rot. Bonds7

About 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid

4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid (PubChem CID 119203959) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
PubChem CID119203959
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C16H23NO5S/c1-11(2)23(21,22)13-7-5-12(6-8-13)15(20)17-16(3,4)10-9-14(18)19/h5-8,11H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyUIWDZWRUYMGHHU-UHFFFAOYSA-N
XLogP2.24
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119204037
4-methyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]pentanoic acid
CID 119203601
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[[4-(1-cyanoethylsulfonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122091461
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid (CID 119203959) is 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid is CC(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid?
The InChIKey is UIWDZWRUYMGHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-11(2)23(21,22)13-7-5-12(6-8-13)15(20)17-16(3,4)10-9-14(18)19/h5-8,11H,9-10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid?
4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid has a molecular weight of 341.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119203959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).