(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine

C17H21NO4S — CID 9167931

IUPAC(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCOc1ccc([C@H](CN)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C17H21NO4S/c1-12-4-7-14(8-5-12)23(19,20)17(11-18)15-9-6-13(21-2)10-16(15)22-3/h4-10,17H,11,18H2,1-3H3/t17-/m0/s1
InChIKeyWFTJWDPRJMKOTJ-KRWDZBQOSA-N
MW335.43 g/mol
LogP2.49
Rot. Bonds6

About (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine

(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine (PubChem CID 9167931) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
PubChem CID9167931
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCOc1ccc([C@H](CN)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C17H21NO4S/c1-12-4-7-14(8-5-12)23(19,20)17(11-18)15-9-6-13(21-2)10-16(15)22-3/h4-10,17H,11,18H2,1-3H3/t17-/m0/s1
InChIKeyWFTJWDPRJMKOTJ-KRWDZBQOSA-N
XLogP2.49
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167955
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
CID 9167758
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
[(2S)-2-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylethyl]azanium
CID 9167321
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642213
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole
CID 102576520
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane
CID 143091986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine (CID 9167931) is (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The canonical SMILES for (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine is COc1ccc([C@H](CN)S(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The InChIKey is WFTJWDPRJMKOTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-4-7-14(8-5-12)23(19,20)17(11-18)15-9-6-13(21-2)10-16(15)22-3/h4-10,17H,11,18H2,1-3H3/t17-/m0/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine has a molecular weight of 335.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine is sourced from PubChem (CID 9167931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).