2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide

C16H16ClNO2S — CID 11839697

IUPAC2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2S/c1-11(20-14-7-3-5-12(17)9-14)16(19)18-13-6-4-8-15(10-13)21-2/h3-11H,1-2H3,(H,18,19)
InChIKeyOBIPQUOPKDGYHX-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide

2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 11839697) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID11839697
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2S/c1-11(20-14-7-3-5-12(17)9-14)16(19)18-13-6-4-8-15(10-13)21-2/h3-11H,1-2H3,(H,18,19)
InChIKeyOBIPQUOPKDGYHX-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 2665735
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893717
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide (CID 11839697) is 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is OBIPQUOPKDGYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(20-14-7-3-5-12(17)9-14)16(19)18-13-6-4-8-15(10-13)21-2/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 321.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 11839697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).