(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid

C17H24N2O5S — CID 92863742

IUPAC(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-6-10(2)14(15(20)21)18-25(23,24)11-7-8-13-12(9-11)17(3,4)16(22)19(13)5/h7-10,14,18H,6H2,1-5H3,(H,20,21)/t10-,14-/m0/s1
InChIKeyBZGPKXIZSACFMH-HZMBPMFUSA-N
MW368.46 g/mol
LogP1.72
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid

(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid (PubChem CID 92863742) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
PubChem CID92863742
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-6-10(2)14(15(20)21)18-25(23,24)11-7-8-13-12(9-11)17(3,4)16(22)19(13)5/h7-10,14,18H,6H2,1-5H3,(H,20,21)/t10-,14-/m0/s1
InChIKeyBZGPKXIZSACFMH-HZMBPMFUSA-N
XLogP1.72
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173476
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
(2S)-2-[(4-carbamoylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173826
(2S,3S)-3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]pentanoic acid
CID 119418115
(2R)-3-methyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 51702634
(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 119126274

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid (CID 92863742) is (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid is CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid?
The InChIKey is BZGPKXIZSACFMH-HZMBPMFUSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-6-10(2)14(15(20)21)18-25(23,24)11-7-8-13-12(9-11)17(3,4)16(22)19(13)5/h7-10,14,18H,6H2,1-5H3,(H,20,21)/t10-,14-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid?
(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid has a molecular weight of 368.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 92863742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).