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

C23H30N2O4S — CID 46043886

IUPACN-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)N(C)C2CCCCC2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H30N2O4S/c1-24-23(18-10-9-15-21(16-18)29-20-13-7-4-8-14-20)22(17-28-24)30(26,27)25(2)19-11-5-3-6-12-19/h4,7-10,13-16,19,22-23H,3,5-6,11-12,17H2,1-2H3
InChIKeyYMOOZXQHLAYDSE-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.36
Rot. Bonds6

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

N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 46043886) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID46043886
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)N(C)C2CCCCC2)C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H30N2O4S/c1-24-23(18-10-9-15-21(16-18)29-20-13-7-4-8-14-20)22(17-28-24)30(26,27)25(2)19-11-5-3-6-12-19/h4,7-10,13-16,19,22-23H,3,5-6,11-12,17H2,1-2H3
InChIKeyYMOOZXQHLAYDSE-UHFFFAOYSA-N
XLogP4.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(3-methoxyphenyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 42851318
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
(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
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46071205
ethyl 1-[[3-(3-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-4-carboxylate
CID 42851312
N-benzyl-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043808
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
1-[2-(dimethylamino)ethyl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 5165601
methyl 6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2858240

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide (CID 46043886) is N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)N(C)C2CCCCC2)C1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is YMOOZXQHLAYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-24-23(18-10-9-15-21(16-18)29-20-13-7-4-8-14-20)22(17-28-24)30(26,27)25(2)19-11-5-3-6-12-19/h4,7-10,13-16,19,22-23H,3,5-6,11-12,17H2,1-2H3.
What are the key properties of N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,2-dimethyl-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46043886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).