4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

C17H21NO3S — CID 7377815

IUPAC4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-4-21-17-11-10-16(12-13(17)2)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-12,14,18H,4H2,1-3H3/t14-/m1/s1
InChIKeyZOGWHIKLHMNLQE-CQSZACIVSA-N
MW319.43 g/mol
LogP3.43
Rot. Bonds6

About 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 7377815) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID7377815
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-4-21-17-11-10-16(12-13(17)2)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-12,14,18H,4H2,1-3H3/t14-/m1/s1
InChIKeyZOGWHIKLHMNLQE-CQSZACIVSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
CID 45100411
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
N-[2-ethoxy-5-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 7368615
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanoic acid
CID 6462452
4-butoxy-N-[(1R)-1-phenylethyl]-3-propan-2-ylbenzenesulfonamide
CID 124680588
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30144183
(2R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30144193
(2S)-N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 94862936
N-benzhydryl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890919

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 7377815) is 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is ZOGWHIKLHMNLQE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-21-17-11-10-16(12-13(17)2)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-12,14,18H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 7377815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).