N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

C23H29N3O2S — CID 35223508

IUPACN-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCSc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O2S/c1-17(2)18-4-6-19(7-5-18)23(28)26-14-12-25(13-15-26)16-22(27)24-20-8-10-21(29-3)11-9-20/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyNFEVPMPCVXHGLZ-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.93
Rot. Bonds6

About N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 35223508) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
PubChem CID35223508
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCSc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O2S/c1-17(2)18-4-6-19(7-5-18)23(28)26-14-12-25(13-15-26)16-22(27)24-20-8-10-21(29-3)11-9-20/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyNFEVPMPCVXHGLZ-UHFFFAOYSA-N
XLogP3.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207918
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207173
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56792884
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
CID 78833524
2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9223624
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide
CID 169412134
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (CID 35223508) is N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is CSc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is NFEVPMPCVXHGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-17(2)18-4-6-19(7-5-18)23(28)26-14-12-25(13-15-26)16-22(27)24-20-8-10-21(29-3)11-9-20/h4-11,17H,12-16H2,1-3H3,(H,24,27).
What are the key properties of N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 411.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35223508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).