N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide

C24H22Cl2N2O2S — CID 17312378

IUPACN-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H22Cl2N2O2S/c1-28(14-17-7-3-2-4-8-17)24(30)19-9-5-6-10-22(19)27-23(29)16-31-15-18-11-12-20(25)21(26)13-18/h2-13H,14-16H2,1H3,(H,27,29)
InChIKeyMRRXQSVHOKWPIF-UHFFFAOYSA-N
MW473.43 g/mol
LogP6.14
Rot. Bonds8

About N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide

N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide (PubChem CID 17312378) has the molecular formula C24H22Cl2N2O2S and a molecular weight of 473.43 g/mol. Its IUPAC name is N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
PubChem CID17312378
Molecular FormulaC24H22Cl2N2O2S
Molecular Weight473.43 g/mol
Exact Mass472.08
IUPAC NameN-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H22Cl2N2O2S/c1-28(14-17-7-3-2-4-8-17)24(30)19-9-5-6-10-22(19)27-23(29)16-31-15-18-11-12-20(25)21(26)13-18/h2-13H,14-16H2,1H3,(H,27,29)
InChIKeyMRRXQSVHOKWPIF-UHFFFAOYSA-N
XLogP6.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 17310014
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309878
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
N-benzyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 4937312
N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
CID 17311665
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
methyl 4-chloro-3-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 92681215

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide (CID 17312378) is N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide?
The InChIKey is MRRXQSVHOKWPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2S/c1-28(14-17-7-3-2-4-8-17)24(30)19-9-5-6-10-22(19)27-23(29)16-31-15-18-11-12-20(25)21(26)13-18/h2-13H,14-16H2,1H3,(H,27,29).
What are the key properties of N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide?
N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide has a molecular weight of 473.43 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 17312378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).