N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

C12H11Cl2NO2S — CID 2747664

IUPACN-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2Cl)SCCO1
InChIInChI=1S/C12H11Cl2NO2S/c1-7-11(18-5-4-17-7)12(16)15-10-3-2-8(13)6-9(10)14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyODNWBUYILSRYBD-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.93
Rot. Bonds2

About N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 2747664) has the molecular formula C12H11Cl2NO2S and a molecular weight of 304.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID2747664
Molecular FormulaC12H11Cl2NO2S
Molecular Weight304.20 g/mol
Exact Mass302.99
IUPAC NameN-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2Cl)SCCO1
InChIInChI=1S/C12H11Cl2NO2S/c1-7-11(18-5-4-17-7)12(16)15-10-3-2-8(13)6-9(10)14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyODNWBUYILSRYBD-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(2-phenylpropylcarbamoyl)phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22553895
N-[2-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22553811
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 59559827
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
CID 84554043
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide
CID 7067086
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 2747664) is N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)SCCO1.
What is the InChIKey of N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is ODNWBUYILSRYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2S/c1-7-11(18-5-4-17-7)12(16)15-10-3-2-8(13)6-9(10)14/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 304.20 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 2747664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).