(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid

C15H23NO4S — CID 61155878

IUPAC(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-10(2)9-14(15(17)18)16-21(19,20)13-7-5-12(6-8-13)11(3)4/h5-8,10-11,14,16H,9H2,1-4H3,(H,17,18)/t14-/m0/s1
InChIKeyICWFNCXQKKIJBV-AWEZNQCLSA-N
MW313.42 g/mol
LogP2.59
Rot. Bonds7

About (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid

(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid (PubChem CID 61155878) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
PubChem CID61155878
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-10(2)9-14(15(17)18)16-21(19,20)13-7-5-12(6-8-13)11(3)4/h5-8,10-11,14,16H,9H2,1-4H3,(H,17,18)/t14-/m0/s1
InChIKeyICWFNCXQKKIJBV-AWEZNQCLSA-N
XLogP2.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122069284
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 104935181
2-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 119142039
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
(2R)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 35767047
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 42256056
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2S)-2-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 61156389
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
CID 110351295
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22644980

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid (CID 61155878) is (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid is CC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is ICWFNCXQKKIJBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10(2)9-14(15(17)18)16-21(19,20)13-7-5-12(6-8-13)11(3)4/h5-8,10-11,14,16H,9H2,1-4H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid?
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 61155878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).