N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide

C18H23NO3S — CID 57408242

IUPACN-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](OC)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-4-17(18(22-3)15-8-6-5-7-9-15)19-23(20,21)16-12-10-14(2)11-13-16/h5-13,17-19H,4H2,1-3H3/t17-,18+/m0/s1
InChIKeyASVITZTZSOLNRY-ZWKOTPCHSA-N
MW333.45 g/mol
LogP3.44
Rot. Bonds7

About N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide

N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 57408242) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
PubChem CID57408242
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](OC)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-4-17(18(22-3)15-8-6-5-7-9-15)19-23(20,21)16-12-10-14(2)11-13-16/h5-13,17-19H,4H2,1-3H3/t17-,18+/m0/s1
InChIKeyASVITZTZSOLNRY-ZWKOTPCHSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
4-methyl-N-[(2R,3S)-2-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 102085271
N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
CID 11775267
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]pentanamide
CID 126339303
4-methyl-N-[(1S,2S)-2-nitro-1-phenylpropyl]benzenesulfonamide
CID 71425019
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765
ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462805
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide (CID 57408242) is N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide is CC[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](OC)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is ASVITZTZSOLNRY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-17(18(22-3)15-8-6-5-7-9-15)19-23(20,21)16-12-10-14(2)11-13-16/h5-13,17-19H,4H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 57408242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).