N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide

C18H23NO4S2 — CID 97416967

IUPACN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC[C@H](O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C18H23NO4S2/c1-23-16-7-3-14(4-8-16)11-12-25(21,22)19-13-18(20)15-5-9-17(24-2)10-6-15/h3-10,18-20H,11-13H2,1-2H3/t18-/m0/s1
InChIKeyKDTRKMFJOSRFLZ-SFHVURJKSA-N
MW381.52 g/mol
LogP2.61
Rot. Bonds9

About N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide

N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 97416967) has the molecular formula C18H23NO4S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID97416967
Molecular FormulaC18H23NO4S2
Molecular Weight381.52 g/mol
Exact Mass381.11
IUPAC NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC[C@H](O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C18H23NO4S2/c1-23-16-7-3-14(4-8-16)11-12-25(21,22)19-13-18(20)15-5-9-17(24-2)10-6-15/h3-10,18-20H,11-13H2,1-2H3/t18-/m0/s1
InChIKeyKDTRKMFJOSRFLZ-SFHVURJKSA-N
XLogP2.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71798200
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[2-(4-methoxyphenyl)ethylsulfonyl]propanamide
CID 146127845
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068
2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 97416938
2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide
CID 86818230
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 90581913
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 97416967) is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NC[C@H](O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is KDTRKMFJOSRFLZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO4S2/c1-23-16-7-3-14(4-8-16)11-12-25(21,22)19-13-18(20)15-5-9-17(24-2)10-6-15/h3-10,18-20H,11-13H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 97416967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).