(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide

C24H24ClNO2S — CID 92676285

IUPAC(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1C
InChIInChI=1S/C24H24ClNO2S/c1-3-22(28-23-12-8-7-11-20(23)25)24(27)26-21-14-13-18(15-17(21)2)16-29-19-9-5-4-6-10-19/h4-15,22H,3,16H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyXUKMXTGFHJPUSW-QFIPXVFZSA-N
MW425.98 g/mol
LogP6.74
Rot. Bonds8

About (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide

(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide (PubChem CID 92676285) has the molecular formula C24H24ClNO2S and a molecular weight of 425.98 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
PubChem CID92676285
Molecular FormulaC24H24ClNO2S
Molecular Weight425.98 g/mol
Exact Mass425.12
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1C
InChIInChI=1S/C24H24ClNO2S/c1-3-22(28-23-12-8-7-11-20(23)25)24(27)26-21-14-13-18(15-17(21)2)16-29-19-9-5-4-6-10-19/h4-15,22H,3,16H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyXUKMXTGFHJPUSW-QFIPXVFZSA-N
XLogP6.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.98
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 99949605
2-(3-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 132610349
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 94019252
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide (CID 92676285) is (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1C.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide?
The InChIKey is XUKMXTGFHJPUSW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24ClNO2S/c1-3-22(28-23-12-8-7-11-20(23)25)24(27)26-21-14-13-18(15-17(21)2)16-29-19-9-5-4-6-10-19/h4-15,22H,3,16H2,1-2H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide?
(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide has a molecular weight of 425.98 g/mol, XLogP of 6.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide is sourced from PubChem (CID 92676285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).