N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide

C14H20N2O5S2 — CID 15895613

IUPACN-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C)(C)SC2(C)C(=O)NO)cc1
InChIInChI=1S/C14H20N2O5S2/c1-13(2)9-16(14(3,22-13)12(17)15-18)23(19,20)11-7-5-10(21-4)6-8-11/h5-8,18H,9H2,1-4H3,(H,15,17)
InChIKeyMYIAZQIHYVKQLZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.43
Rot. Bonds4

About N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide

N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide (PubChem CID 15895613) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide
PubChem CID15895613
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C)(C)SC2(C)C(=O)NO)cc1
InChIInChI=1S/C14H20N2O5S2/c1-13(2)9-16(14(3,22-13)12(17)15-18)23(19,20)11-7-5-10(21-4)6-8-11/h5-8,18H,9H2,1-4H3,(H,15,17)
InChIKeyMYIAZQIHYVKQLZ-UHFFFAOYSA-N
XLogP1.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(4S)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CID 15296581
diethyl 1-(4-methoxyphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 582717
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595640
methyl 3-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylate
CID 90883271
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide
CID 139845074
1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine
CID 82252088
methyl (2R)-2-methyl-1-(4-nitrophenyl)sulfonylaziridine-2-carboxylate
CID 102155324
(6S)-N-hydroxy-7-(4-methoxyphenyl)sulfonyl-5,5-dimethyl-1,4,7-oxathiazonane-6-carboxamide
CID 10716217
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 83059060
(3aS,4R,7R,7aR)-N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 58866164
(3S,6R)-N-hydroxy-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CID 10812742

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide (CID 15895613) is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CC(C)(C)SC2(C)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is MYIAZQIHYVKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-13(2)9-16(14(3,22-13)12(17)15-18)23(19,20)11-7-5-10(21-4)6-8-11/h5-8,18H,9H2,1-4H3,(H,15,17).
What are the key properties of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide?
N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 15895613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).