2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide

C19H22ClNO3S — CID 97416886

IUPAC2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
SMILESCSc1ccc([C@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-19(2,24-15-8-6-14(20)7-9-15)18(23)21-12-17(22)13-4-10-16(25-3)11-5-13/h4-11,17,22H,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyWKAKLWAZAOUQDH-QGZVFWFLSA-N
MW379.91 g/mol
LogP4.07
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide (PubChem CID 97416886) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
PubChem CID97416886
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
SMILESCSc1ccc([C@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-19(2,24-15-8-6-14(20)7-9-15)18(23)21-12-17(22)13-4-10-16(25-3)11-5-13/h4-11,17,22H,12H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyWKAKLWAZAOUQDH-QGZVFWFLSA-N
XLogP4.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 71803461
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
CID 69145412
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 81063126
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 43092383
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide
CID 122162608
N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 69147345
2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 103919455
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
N-[2,3-bis(4-chlorophenyl)butyl]-2-(3-fluorophenoxy)-2-methylpropanamide
CID 69147591

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide (CID 97416886) is 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide is CSc1ccc([C@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide?
The InChIKey is WKAKLWAZAOUQDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-19(2,24-15-8-6-14(20)7-9-15)18(23)21-12-17(22)13-4-10-16(25-3)11-5-13/h4-11,17,22H,12H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide has a molecular weight of 379.91 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 97416886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).