2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide

C23H22ClNO2S — CID 132664011

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C23H22ClNO2S/c1-16-14-20(12-13-22(16)24)27-17(2)23(26)25-19-10-8-18(9-11-19)15-28-21-6-4-3-5-7-21/h3-14,17H,15H2,1-2H3,(H,25,26)
InChIKeyWWHQIECQQCMGEW-UHFFFAOYSA-N
MW411.95 g/mol
LogP6.35
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide (PubChem CID 132664011) has the molecular formula C23H22ClNO2S and a molecular weight of 411.95 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
PubChem CID132664011
Molecular FormulaC23H22ClNO2S
Molecular Weight411.95 g/mol
Exact Mass411.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C23H22ClNO2S/c1-16-14-20(12-13-22(16)24)27-17(2)23(26)25-19-10-8-18(9-11-19)15-28-21-6-4-3-5-7-21/h3-14,17H,15H2,1-2H3,(H,25,26)
InChIKeyWWHQIECQQCMGEW-UHFFFAOYSA-N
XLogP6.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.95
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 94019252
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzoate
CID 53265937
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
CID 129439724
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide (CID 132664011) is 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide is Cc1cc(OC(C)C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
The InChIKey is WWHQIECQQCMGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2S/c1-16-14-20(12-13-22(16)24)27-17(2)23(26)25-19-10-8-18(9-11-19)15-28-21-6-4-3-5-7-21/h3-14,17H,15H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide has a molecular weight of 411.95 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide is sourced from PubChem (CID 132664011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).