(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide

C18H24N2O4S — CID 54284298

IUPAC(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC1=C2CCCC1)C(=O)NO
InChIInChI=1S/C18H24N2O4S/c1-11(2)17(18(21)19-22)20-25(23,24)14-7-8-16-13(10-14)9-12-5-3-4-6-15(12)16/h7-8,10-11,17,20,22H,3-6,9H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyRSZXSYOEVCQTMZ-KRWDZBQOSA-N
MW364.47 g/mol
LogP2.38
Rot. Bonds5

About (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide

(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide (PubChem CID 54284298) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide
PubChem CID54284298
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC1=C2CCCC1)C(=O)NO
InChIInChI=1S/C18H24N2O4S/c1-11(2)17(18(21)19-22)20-25(23,24)14-7-8-16-13(10-14)9-12-5-3-4-6-15(12)16/h7-8,10-11,17,20,22H,3-6,9H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyRSZXSYOEVCQTMZ-KRWDZBQOSA-N
XLogP2.38
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide
CID 18386316
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 87298601
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 134100923
(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 6539665
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
ethane;3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)butanamide
CID 142218876
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
(2R)-N-hydroxy-3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
CID 10199496

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide?
The IUPAC name of (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide (CID 54284298) is (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide.
What is the SMILES notation for (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide?
The canonical SMILES for (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide is CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC1=C2CCCC1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide?
The InChIKey is RSZXSYOEVCQTMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-11(2)17(18(21)19-22)20-25(23,24)14-7-8-16-13(10-14)9-12-5-3-4-6-15(12)16/h7-8,10-11,17,20,22H,3-6,9H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide?
(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide has a molecular weight of 364.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 54284298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).