N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide

C17H21NO3S — CID 97417781

IUPACN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCO[C@H](CNS(=O)(=O)Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C17H21NO3S/c1-14-8-6-7-11-16(14)17(21-2)12-18-22(19,20)13-15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyLRCHEQINFGPKBR-QGZVFWFLSA-N
MW319.43 g/mol
LogP2.80
Rot. Bonds7

About N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide

N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 97417781) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID97417781
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCO[C@H](CNS(=O)(=O)Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C17H21NO3S/c1-14-8-6-7-11-16(14)17(21-2)12-18-22(19,20)13-15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyLRCHEQINFGPKBR-QGZVFWFLSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
CID 90598855
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
CID 62108356
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97417819
2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598905
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide (CID 97417781) is N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide is CO[C@H](CNS(=O)(=O)Cc1ccccc1)c1ccccc1C.
What is the InChIKey of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is LRCHEQINFGPKBR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-8-6-7-11-16(14)17(21-2)12-18-22(19,20)13-15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide?
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 97417781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).