N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide

C15H20ClN3O2S — CID 51103918

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2S/c1-22-11-14(20)17-10-15(21)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyQUVKLVQXJGIOJL-UHFFFAOYSA-N
MW341.86 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide (PubChem CID 51103918) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
PubChem CID51103918
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2S/c1-22-11-14(20)17-10-15(21)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyQUVKLVQXJGIOJL-UHFFFAOYSA-N
XLogP1.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119871496
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871513
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide
CID 56763315
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide (CID 51103918) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide is CSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide?
The InChIKey is QUVKLVQXJGIOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-22-11-14(20)17-10-15(21)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide has a molecular weight of 341.86 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 51103918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).