N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

C18H28N2O5S — CID 46043836

IUPACN-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cc(OC)cc(C2C(S(=O)(=O)NC3CCCCC3)CON2C)c1
InChIInChI=1S/C18H28N2O5S/c1-20-18(13-9-15(23-2)11-16(10-13)24-3)17(12-25-20)26(21,22)19-14-7-5-4-6-8-14/h9-11,14,17-19H,4-8,12H2,1-3H3
InChIKeyBVIWHDWDIXLYFS-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.24
Rot. Bonds6

About N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 46043836) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
PubChem CID46043836
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cc(OC)cc(C2C(S(=O)(=O)NC3CCCCC3)CON2C)c1
InChIInChI=1S/C18H28N2O5S/c1-20-18(13-9-15(23-2)11-16(10-13)24-3)17(12-25-20)26(21,22)19-14-7-5-4-6-8-14/h9-11,14,17-19H,4-8,12H2,1-3H3
InChIKeyBVIWHDWDIXLYFS-UHFFFAOYSA-N
XLogP2.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (CID 46043836) is N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is COc1cc(OC)cc(C2C(S(=O)(=O)NC3CCCCC3)CON2C)c1.
What is the InChIKey of N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is BVIWHDWDIXLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-20-18(13-9-15(23-2)11-16(10-13)24-3)17(12-25-20)26(21,22)19-14-7-5-4-6-8-14/h9-11,14,17-19H,4-8,12H2,1-3H3.
What are the key properties of N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46043836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).