2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide

C21H34N4O3S — CID 17066658

IUPAC2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CN2CCN(CC)CC2)cc1
InChIInChI=1S/C21H34N4O3S/c1-3-19-7-5-6-12-25(19)29(27,28)20-10-8-18(9-11-20)22-21(26)17-24-15-13-23(4-2)14-16-24/h8-11,19H,3-7,12-17H2,1-2H3,(H,22,26)
InChIKeyRYLHBYKDBTURHA-UHFFFAOYSA-N
MW422.60 g/mol
LogP2.22
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 17066658) has the molecular formula C21H34N4O3S and a molecular weight of 422.60 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID17066658
Molecular FormulaC21H34N4O3S
Molecular Weight422.60 g/mol
Exact Mass422.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CN2CCN(CC)CC2)cc1
InChIInChI=1S/C21H34N4O3S/c1-3-19-7-5-6-12-25(19)29(27,28)20-10-8-18(9-11-20)22-21(26)17-24-15-13-23(4-2)14-16-24/h8-11,19H,3-7,12-17H2,1-2H3,(H,22,26)
InChIKeyRYLHBYKDBTURHA-UHFFFAOYSA-N
XLogP2.22
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154220
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
2-(3,4-dimethoxyphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2988784

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 17066658) is 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CN2CCN(CC)CC2)cc1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is RYLHBYKDBTURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3S/c1-3-19-7-5-6-12-25(19)29(27,28)20-10-8-18(9-11-20)22-21(26)17-24-15-13-23(4-2)14-16-24/h8-11,19H,3-7,12-17H2,1-2H3,(H,22,26).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 422.60 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 17066658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).