(3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide

C19H22N2O5S — CID 11429232

IUPAC(3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide
SMILESCOc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyQVCXUWWKONKLBL-GOSISDBHSA-N
MW390.46 g/mol
LogP2.16
Rot. Bonds5

About (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide

(3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide (PubChem CID 11429232) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide
PubChem CID11429232
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide
SMILESCOc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyQVCXUWWKONKLBL-GOSISDBHSA-N
XLogP2.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide (CID 11429232) is (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide is COc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide?
The InChIKey is QVCXUWWKONKLBL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide?
(3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxothiazinane-3-carboxamide is sourced from PubChem (CID 11429232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).