N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide

C17H22N2O4S2 — CID 18386316

IUPACN-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2c3c(sc2c1)CCCC3)C(=O)NO
InChIInChI=1S/C17H22N2O4S2/c1-10(2)16(17(20)18-21)19-25(22,23)11-7-8-13-12-5-3-4-6-14(12)24-15(13)9-11/h7-10,16,19,21H,3-6H2,1-2H3,(H,18,20)
InChIKeyBZQWQTZPEKNVFG-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.59
Rot. Bonds5

About N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide

N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide (PubChem CID 18386316) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide
PubChem CID18386316
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2c3c(sc2c1)CCCC3)C(=O)NO
InChIInChI=1S/C17H22N2O4S2/c1-10(2)16(17(20)18-21)19-25(22,23)11-7-8-13-12-5-3-4-6-14(12)24-15(13)9-11/h7-10,16,19,21H,3-6H2,1-2H3,(H,18,20)
InChIKeyBZQWQTZPEKNVFG-UHFFFAOYSA-N
XLogP2.59
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-N-hydroxy-3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
CID 10199496
(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide
CID 54284298
6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide
CID 141017575
(2S)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
CID 12042324
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 87298601
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 134100923
2-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-ylsulfonylamino)-3-methylbutanoic acid
CID 18386305
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 6539665
tert-butyl (2R)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoate
CID 12042322
3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 20868797
(2S)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]butanamide
CID 92666446

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide?
The IUPAC name of N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide (CID 18386316) is N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide?
The canonical SMILES for N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1ccc2c3c(sc2c1)CCCC3)C(=O)NO.
What is the InChIKey of N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide?
The InChIKey is BZQWQTZPEKNVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-10(2)16(17(20)18-21)19-25(22,23)11-7-8-13-12-5-3-4-6-14(12)24-15(13)9-11/h7-10,16,19,21H,3-6H2,1-2H3,(H,18,20).
What are the key properties of N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide?
N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide has a molecular weight of 382.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide is sourced from PubChem (CID 18386316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).