4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide

C22H19ClN2O2S — CID 31964988

IUPAC4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
SMILESCc1ccccc1SCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-15-6-2-5-9-20(15)28-14-21(26)24-18-7-3-4-8-19(18)25-22(27)16-10-12-17(23)13-11-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyTZDJHNRCGAJDEC-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.63
Rot. Bonds6

About 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide

4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide (PubChem CID 31964988) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
PubChem CID31964988
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC Name4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
SMILESCc1ccccc1SCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-15-6-2-5-9-20(15)28-14-21(26)24-18-7-3-4-8-19(18)25-22(27)16-10-12-17(23)13-11-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyTZDJHNRCGAJDEC-UHFFFAOYSA-N
XLogP5.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 55899537
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202352

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide (CID 31964988) is 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide is Cc1ccccc1SCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
The InChIKey is TZDJHNRCGAJDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-15-6-2-5-9-20(15)28-14-21(26)24-18-7-3-4-8-19(18)25-22(27)16-10-12-17(23)13-11-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide has a molecular weight of 410.93 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide is sourced from PubChem (CID 31964988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).