N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

C19H22ClN3O2S — CID 8712133

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)CC(=O)N(C)C
InChIInChI=1S/C19H22ClN3O2S/c1-22(2)19(25)13-23(3)12-18(24)21-16-6-4-5-7-17(16)26-15-10-8-14(20)9-11-15/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyAPSJZGYAUBQBKO-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8712133) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8712133
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)CC(=O)N(C)C
InChIInChI=1S/C19H22ClN3O2S/c1-22(2)19(25)13-23(3)12-18(24)21-16-6-4-5-7-17(16)26-15-10-8-14(20)9-11-15/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyAPSJZGYAUBQBKO-UHFFFAOYSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 8766799
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[methyl-(1-oxothian-4-yl)amino]acetamide
CID 75534068
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8009037
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 2-chlorobenzoate
CID 4854500
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693536
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2401077
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918823
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide (CID 8712133) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)CC(=O)N(C)C.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is APSJZGYAUBQBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-22(2)19(25)13-23(3)12-18(24)21-16-6-4-5-7-17(16)26-15-10-8-14(20)9-11-15/h4-11H,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 391.92 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8712133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).