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

C18H28N2O4S — CID 42851318

IUPACN-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)N(C)C3CCCCC3)CON2C)c1
InChIInChI=1S/C18H28N2O4S/c1-19-18(14-8-7-11-16(12-14)23-3)17(13-24-19)25(21,22)20(2)15-9-5-4-6-10-15/h7-8,11-12,15,17-18H,4-6,9-10,13H2,1-3H3
InChIKeyDAKLJZFRKIIUAS-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.58
Rot. Bonds5

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

N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 42851318) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
PubChem CID42851318
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)N(C)C3CCCCC3)CON2C)c1
InChIInChI=1S/C18H28N2O4S/c1-19-18(14-8-7-11-16(12-14)23-3)17(13-24-19)25(21,22)20(2)15-9-5-4-6-10-15/h7-8,11-12,15,17-18H,4-6,9-10,13H2,1-3H3
InChIKeyDAKLJZFRKIIUAS-UHFFFAOYSA-N
XLogP2.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043886
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 46043869
3-[3-(4-chlorophenoxy)phenyl]-N-cyclopentyl-2-methyl-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 42871342
ethyl 1-[[3-(3-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-4-carboxylate
CID 42851312
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(3,5-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
CID 42851157
(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98633724
(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 100898283
(3S,4S)-N-[4-(dimethylamino)phenyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000274
(3S,4R)-N-cyclohexyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 98633743
2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841819
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46071205
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide (CID 42851318) is N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide is COc1cccc(C2C(S(=O)(=O)N(C)C3CCCCC3)CON2C)c1.
What is the InChIKey of N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is DAKLJZFRKIIUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-19-18(14-8-7-11-16(12-14)23-3)17(13-24-19)25(21,22)20(2)15-9-5-4-6-10-15/h7-8,11-12,15,17-18H,4-6,9-10,13H2,1-3H3.
What are the key properties of N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42851318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).