4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide

C20H27NO3S — CID 9181822

IUPAC4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(C)C
InChIInChI=1S/C20H27NO3S/c1-15(2)19-14-18(12-13-20(19)24-4)25(22,23)21-16(3)10-11-17-8-6-5-7-9-17/h5-9,12-16,21H,10-11H2,1-4H3/t16-/m0/s1
InChIKeyQGYBQJYLKXUGQH-INIZCTEOSA-N
MW361.51 g/mol
LogP4.12
Rot. Bonds8

About 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide

4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 9181822) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
PubChem CID9181822
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Name4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(C)C
InChIInChI=1S/C20H27NO3S/c1-15(2)19-14-18(12-13-20(19)24-4)25(22,23)21-16(3)10-11-17-8-6-5-7-9-17/h5-9,12-16,21H,10-11H2,1-4H3/t16-/m0/s1
InChIKeyQGYBQJYLKXUGQH-INIZCTEOSA-N
XLogP4.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17200530
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 100570121
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide (CID 9181822) is 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(C)C.
What is the InChIKey of 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is QGYBQJYLKXUGQH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-15(2)19-14-18(12-13-20(19)24-4)25(22,23)21-16(3)10-11-17-8-6-5-7-9-17/h5-9,12-16,21H,10-11H2,1-4H3/t16-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide?
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 9181822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).