(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide

C19H20Cl2N2O4S — CID 100783690

IUPAC(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(Cl)cc3)S2(=O)=O)cc1Cl
InChIInChI=1S/C19H20Cl2N2O4S/c1-19(18(24)22-14-6-9-17(27-2)16(21)12-14)10-3-11-23(28(19,25)26)15-7-4-13(20)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyKAGZIXRQMQVGBT-IBGZPJMESA-N
MW443.35 g/mol
LogP4.33
Rot. Bonds4

About (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide

(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide (PubChem CID 100783690) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
PubChem CID100783690
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC Name(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(Cl)cc3)S2(=O)=O)cc1Cl
InChIInChI=1S/C19H20Cl2N2O4S/c1-19(18(24)22-14-6-9-17(27-2)16(21)12-14)10-3-11-23(28(19,25)26)15-7-4-13(20)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyKAGZIXRQMQVGBT-IBGZPJMESA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
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2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
The IUPAC name of (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide (CID 100783690) is (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide.
What is the SMILES notation for (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
The canonical SMILES for (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide is COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(Cl)cc3)S2(=O)=O)cc1Cl.
What is the InChIKey of (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
The InChIKey is KAGZIXRQMQVGBT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-19(18(24)22-14-6-9-17(27-2)16(21)12-14)10-3-11-23(28(19,25)26)15-7-4-13(20)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide is sourced from PubChem (CID 100783690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).