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

C19H30N2O5S — CID 46043869

IUPACN-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(C2C(S(=O)(=O)N(C)C3CCCCC3)CON2C)cc1OC
InChIInChI=1S/C19H30N2O5S/c1-20-19(14-10-11-16(24-3)17(12-14)25-4)18(13-26-20)27(22,23)21(2)15-8-6-5-7-9-15/h10-12,15,18-19H,5-9,13H2,1-4H3
InChIKeyVKIATLOTKBAOMV-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.58
Rot. Bonds6

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

N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 46043869) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
PubChem CID46043869
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(C2C(S(=O)(=O)N(C)C3CCCCC3)CON2C)cc1OC
InChIInChI=1S/C19H30N2O5S/c1-20-19(14-10-11-16(24-3)17(12-14)25-4)18(13-26-20)27(22,23)21(2)15-8-6-5-7-9-15/h10-12,15,18-19H,5-9,13H2,1-4H3
InChIKeyVKIATLOTKBAOMV-UHFFFAOYSA-N
XLogP2.58
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 42851318
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493
(3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 98633743
3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 42871342
(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000621
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618708
3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42851273
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
2-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-cyclohexylacetamide
CID 7093297

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide (CID 46043869) is N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide is COc1ccc(C2C(S(=O)(=O)N(C)C3CCCCC3)CON2C)cc1OC.
What is the InChIKey of N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is VKIATLOTKBAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-20-19(14-10-11-16(24-3)17(12-14)25-4)18(13-26-20)27(22,23)21(2)15-8-6-5-7-9-15/h10-12,15,18-19H,5-9,13H2,1-4H3.
What are the key properties of N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46043869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).