4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide

C19H28N2O3S — CID 12997293

IUPAC4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C19H28N2O3S/c1-13(2)18-12-24-19(20-18)16-6-4-5-7-17(16)21-25(22,23)15-10-8-14(3)9-11-15/h8-11,13,16-18,21H,4-7,12H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyBSAWIWXMIZNREX-KZNAEPCWSA-N
MW364.51 g/mol
LogP3.29
Rot. Bonds5

About 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide

4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide (PubChem CID 12997293) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide
PubChem CID12997293
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C19H28N2O3S/c1-13(2)18-12-24-19(20-18)16-6-4-5-7-17(16)21-25(22,23)15-10-8-14(3)9-11-15/h8-11,13,16-18,21H,4-7,12H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyBSAWIWXMIZNREX-KZNAEPCWSA-N
XLogP3.29
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
dimethyl 2-[2-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanedioate
CID 53384267
4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 164677819
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide (CID 12997293) is 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C2=N[C@@H](C(C)C)CO2)cc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is BSAWIWXMIZNREX-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-13(2)18-12-24-19(20-18)16-6-4-5-7-17(16)21-25(22,23)15-10-8-14(3)9-11-15/h8-11,13,16-18,21H,4-7,12H2,1-3H3/t16-,17-,18-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide?
4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 364.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2R)-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 12997293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).