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

C18H28N2O5S — CID 98633743

IUPAC(3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc([C@H]2[C@@H](S(=O)(=O)NC3CCCCC3)CON2C)c1OC
InChIInChI=1S/C18H28N2O5S/c1-20-17(14-10-7-11-15(23-2)18(14)24-3)16(12-25-20)26(21,22)19-13-8-5-4-6-9-13/h7,10-11,13,16-17,19H,4-6,8-9,12H2,1-3H3/t16-,17-/m0/s1
InChIKeyDNGVFQDMUILXER-IRXDYDNUSA-N
MW384.50 g/mol
LogP2.24
Rot. Bonds6

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

(3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 98633743) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
PubChem CID98633743
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name(3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc([C@H]2[C@@H](S(=O)(=O)NC3CCCCC3)CON2C)c1OC
InChIInChI=1S/C18H28N2O5S/c1-20-17(14-10-7-11-15(23-2)18(14)24-3)16(12-25-20)26(21,22)19-13-8-5-4-6-9-13/h7,10-11,13,16-17,19H,4-6,8-9,12H2,1-3H3/t16-,17-/m0/s1
InChIKeyDNGVFQDMUILXER-IRXDYDNUSA-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

Analyze (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide with MolForge

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Related Compounds

N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 46043916
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CID 46043869
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
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3-(cyclohexylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
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N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
N-cyclohexyl-2-[6-(2,3-dimethoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetamide
CID 19055332
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
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N-cyclohexyl-3-(2,6-dimethoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (CID 98633743) is (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is COc1cccc([C@H]2[C@@H](S(=O)(=O)NC3CCCCC3)CON2C)c1OC.
What is the InChIKey of (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is DNGVFQDMUILXER-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-20-17(14-10-7-11-15(23-2)18(14)24-3)16(12-25-20)26(21,22)19-13-8-5-4-6-9-13/h7,10-11,13,16-17,19H,4-6,8-9,12H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
(3S,4R)-N-cyclohexyl-3-(2,3-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 (3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 98633743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).