2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide

C23H22ClNOS2 — CID 27042111

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C23H22ClNOS2/c1-17-12-19(15-28-21-8-3-2-4-9-21)10-11-22(17)25-23(26)16-27-14-18-6-5-7-20(24)13-18/h2-13H,14-16H2,1H3,(H,25,26)
InChIKeyCUQCJPPEVYWVOO-UHFFFAOYSA-N
MW428.02 g/mol
LogP6.81
Rot. Bonds8

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 27042111) has the molecular formula C23H22ClNOS2 and a molecular weight of 428.02 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID27042111
Molecular FormulaC23H22ClNOS2
Molecular Weight428.02 g/mol
Exact Mass427.08
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C23H22ClNOS2/c1-17-12-19(15-28-21-8-3-2-4-9-21)10-11-22(17)25-23(26)16-27-14-18-6-5-7-20(24)13-18/h2-13H,14-16H2,1H3,(H,25,26)
InChIKeyCUQCJPPEVYWVOO-UHFFFAOYSA-N
XLogP6.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.02
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
(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
3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate
CID 9322946
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2290648
N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2198406

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide (CID 27042111) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is CUQCJPPEVYWVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNOS2/c1-17-12-19(15-28-21-8-3-2-4-9-21)10-11-22(17)25-23(26)16-27-14-18-6-5-7-20(24)13-18/h2-13H,14-16H2,1H3,(H,25,26).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 428.02 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 27042111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).