4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid

C18H21NO4S — CID 24901480

IUPAC4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO4S/c1-13(2)17(12-18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)
InChIKeyBAXHACKHNBFPIA-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.13
Rot. Bonds7

About 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid

4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid (PubChem CID 24901480) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid
PubChem CID24901480
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO4S/c1-13(2)17(12-18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)
InChIKeyBAXHACKHNBFPIA-UHFFFAOYSA-N
XLogP3.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-
CID 95822
2-[(4-Phenylphenyl)sulfonylamino]pentanedioic acid
CID 644601
(R)-2-(4'-bromo-biphenyl-4-sulfonyl-amino)-3-methyl-butyric acid
CID 9918908
3-(5,6,7,8-Tetrahydronaphthalene-2-sulfonamido)propanoic acid
CID 4868381
N-((4-Methylphenyl)sulfonyl)-L-phenylalanine
CID 99327
3-(4-Methylbenzenesulfonamido)propanoic acid
CID 266802
(S)-2-(4'-Bromo-[1,1'-biphenyl]-4-ylsulfonamido)-3-methylbutanoic acid
CID 9887870
alpha-arylsulfonylamino carboxylate 2R
CID 10549609
Mmp-2/mmp-9 inhibitor i
CID 10667540
Biphenylsulfonamide carboxylate, 9
CID 24901479
(2S,3S)-3-Formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid
CID 6323526
2-[[1,1'-Biphenyl]-4-sulfonamido]-3-methylbutanoic acid
CID 24936382

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid (CID 24901480) is 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid is CC(C)C(CC(=O)O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is BAXHACKHNBFPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13(2)17(12-18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 347.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-phenylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 24901480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).