2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide

C18H26ClN3O2S — CID 134014539

IUPAC2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CCSc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O2S/c1-2-8-20-17(23)14-21-9-11-22(12-10-21)18(24)7-13-25-16-6-4-3-5-15(16)19/h3-6H,2,7-14H2,1H3,(H,20,23)
InChIKeyGEMBIEIRJJYKRY-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.49
Rot. Bonds8

About 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 134014539) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
PubChem CID134014539
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CCSc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O2S/c1-2-8-20-17(23)14-21-9-11-22(12-10-21)18(24)7-13-25-16-6-4-3-5-15(16)19/h3-6H,2,7-14H2,1H3,(H,20,23)
InChIKeyGEMBIEIRJJYKRY-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8641041
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8636945
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]-N-propylacetamide
CID 8786941
2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
CID 18088532
3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78777482
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 18163237
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712971
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
CID 56538813
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 24612951

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide (CID 134014539) is 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CCSc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is GEMBIEIRJJYKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2S/c1-2-8-20-17(23)14-21-9-11-22(12-10-21)18(24)7-13-25-16-6-4-3-5-15(16)19/h3-6H,2,7-14H2,1H3,(H,20,23).
What are the key properties of 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 383.95 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134014539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).