4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide

C22H31NO3S — CID 11486083

IUPAC4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide
SMILESCCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C22H31NO3S/c1-4-5-11-22(19(3)16-26-17-20-9-7-6-8-10-20)23-27(24,25)21-14-12-18(2)13-15-21/h6-10,12-15,19,22-23H,4-5,11,16-17H2,1-3H3/t19-,22+/m0/s1
InChIKeyQGYSZBFKVXJWQS-SIKLNZKXSA-N
MW389.56 g/mol
LogP4.69
Rot. Bonds11

About 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide

4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide (PubChem CID 11486083) has the molecular formula C22H31NO3S and a molecular weight of 389.56 g/mol. Its IUPAC name is 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide
PubChem CID11486083
Molecular FormulaC22H31NO3S
Molecular Weight389.56 g/mol
Exact Mass389.20
IUPAC Name4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide
SMILESCCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C22H31NO3S/c1-4-5-11-22(19(3)16-26-17-20-9-7-6-8-10-20)23-27(24,25)21-14-12-18(2)13-15-21/h6-10,12-15,19,22-23H,4-5,11,16-17H2,1-3H3/t19-,22+/m0/s1
InChIKeyQGYSZBFKVXJWQS-SIKLNZKXSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-P-Tosylglycine benzyl ester
CID 273360
N-cyclohexyl-4-[[(2S,3S)-3-hydroxy-2,6-dimethylheptoxy]methyl]-N-methylbenzenesulfonamide
CID 76328757
1-(4-Methylphenyl)sulfonyl-2-(phenylmethoxymethyl)aziridine
CID 15446301
O-ethyl 4-(ethylsulfamoyl)benzenecarbothioate
CID 312248
O-ethyl 4-(propylsulfamoyl)benzenecarbothioate
CID 312249
N-[2-(benzyloxy)ethyl]benzenesulfonamide
CID 555308
N-(2-Benzyl-3-(benzyloxy)propyl)-1,1,1-trifluoromethanesulfonamide
CID 72183446
4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide
CID 122230317
N-[(1S,2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]cyclohex-3-en-1-yl]-4-methylbenzenesulfonamide
CID 154719290
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylbenzenesulfonamide
CID 2877826
[2-[(4-Methylphenyl)sulfonylamino]-1-phenylethyl] acetate
CID 3119015
N-[(2R,3S)-5-hydroxy-2-methyl-1-phenylmethoxypentan-3-yl]-4-methylbenzenesulfonamide
CID 135050564

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide (CID 11486083) is 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide is CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)COCc1ccccc1.
What is the InChIKey of 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide?
The InChIKey is QGYSZBFKVXJWQS-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H31NO3S/c1-4-5-11-22(19(3)16-26-17-20-9-7-6-8-10-20)23-27(24,25)21-14-12-18(2)13-15-21/h6-10,12-15,19,22-23H,4-5,11,16-17H2,1-3H3/t19-,22+/m0/s1.
What are the key properties of 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide?
4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide has a molecular weight of 389.56 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide is sourced from PubChem (CID 11486083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).