2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide

C23H22ClNOS — CID 47003851

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClNOS/c1-16-8-9-17(2)21(14-16)25-22(26)15-27-23(18-6-4-3-5-7-18)19-10-12-20(24)13-11-19/h3-14,23H,15H2,1-2H3,(H,25,26)
InChIKeyQQGPUIOHNPDAKC-UHFFFAOYSA-N
MW395.96 g/mol
LogP6.42
Rot. Bonds6

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 47003851) has the molecular formula C23H22ClNOS and a molecular weight of 395.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID47003851
Molecular FormulaC23H22ClNOS
Molecular Weight395.96 g/mol
Exact Mass395.11
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClNOS/c1-16-8-9-17(2)21(14-16)25-22(26)15-27-23(18-6-4-3-5-7-18)19-10-12-20(24)13-11-19/h3-14,23H,15H2,1-2H3,(H,25,26)
InChIKeyQQGPUIOHNPDAKC-UHFFFAOYSA-N
XLogP6.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.96
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide
CID 22830724
N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65416437
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689
2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 2033561
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 47003851) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is QQGPUIOHNPDAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNOS/c1-16-8-9-17(2)21(14-16)25-22(26)15-27-23(18-6-4-3-5-7-18)19-10-12-20(24)13-11-19/h3-14,23H,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 395.96 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 47003851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).