N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide

C19H28ClN3O3S — CID 16801484

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O3S/c20-17-6-3-7-18(15-17)22-9-11-23(12-10-22)27(25,26)13-8-21-19(24)14-16-4-1-2-5-16/h3,6-7,15-16H,1-2,4-5,8-14H2,(H,21,24)
InChIKeySLLRSFGWHOESNA-UHFFFAOYSA-N
MW413.97 g/mol
LogP2.49
Rot. Bonds7

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide (PubChem CID 16801484) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide
PubChem CID16801484
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O3S/c20-17-6-3-7-18(15-17)22-9-11-23(12-10-22)27(25,26)13-8-21-19(24)14-16-4-1-2-5-16/h3,6-7,15-16H,1-2,4-5,8-14H2,(H,21,24)
InChIKeySLLRSFGWHOESNA-UHFFFAOYSA-N
XLogP2.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-methylphenoxy)acetamide
CID 41349328
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(2-methoxyphenoxy)acetamide
CID 22578807
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175197
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide (CID 16801484) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide?
The InChIKey is SLLRSFGWHOESNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c20-17-6-3-7-18(15-17)22-9-11-23(12-10-22)27(25,26)13-8-21-19(24)14-16-4-1-2-5-16/h3,6-7,15-16H,1-2,4-5,8-14H2,(H,21,24).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide has a molecular weight of 413.97 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 16801484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).