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

C18H28ClN3O3S — CID 41349699

IUPACN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-3-15(4-2)18(23)20-9-14-26(24,25)22-12-10-21(11-13-22)17-8-6-5-7-16(17)19/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyINICHQFERLYAAO-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.34
Rot. Bonds8

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

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide (PubChem CID 41349699) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
PubChem CID41349699
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-3-15(4-2)18(23)20-9-14-26(24,25)22-12-10-21(11-13-22)17-8-6-5-7-16(17)19/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyINICHQFERLYAAO-UHFFFAOYSA-N
XLogP2.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 41349722
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide
CID 41349770
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
CID 41349840
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16825823

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide (CID 41349699) is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide?
The InChIKey is INICHQFERLYAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-3-15(4-2)18(23)20-9-14-26(24,25)22-12-10-21(11-13-22)17-8-6-5-7-16(17)19/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide?
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide has a molecular weight of 401.96 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide is sourced from PubChem (CID 41349699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).