4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide

C20H27NO3S — CID 100647223

IUPAC4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2C)cc1C(C)C
InChIInChI=1S/C20H27NO3S/c1-13(2)18-12-20(15(4)11-19(18)24-6)25(22,23)21-16(5)17-10-8-7-9-14(17)3/h7-13,16,21H,1-6H3/t16-/m1/s1
InChIKeyOFHFEHMKUFJSRD-MRXNPFEDSA-N
MW361.51 g/mol
LogP4.47
Rot. Bonds6

About 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide

4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 100647223) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID100647223
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Name4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2C)cc1C(C)C
InChIInChI=1S/C20H27NO3S/c1-13(2)18-12-20(15(4)11-19(18)24-6)25(22,23)21-16(5)17-10-8-7-9-14(17)3/h7-13,16,21H,1-6H3/t16-/m1/s1
InChIKeyOFHFEHMKUFJSRD-MRXNPFEDSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228
N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133162278
(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
CID 122069465
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
N-[1-(2,5-dimethylphenyl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 133210354
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 133186546
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 43874177

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide (CID 100647223) is 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2C)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is OFHFEHMKUFJSRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-13(2)18-12-20(15(4)11-19(18)24-6)25(22,23)21-16(5)17-10-8-7-9-14(17)3/h7-13,16,21H,1-6H3/t16-/m1/s1.
What are the key properties of 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide?
4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 100647223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).