2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide

C25H32Cl2N4O3S — CID 24981103

IUPAC2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H32Cl2N4O3S/c1-2-29-12-14-30(15-13-29)24-9-7-20(35(33,34)31-10-4-3-5-11-31)18-23(24)28-25(32)17-19-6-8-21(26)22(27)16-19/h6-9,16,18H,2-5,10-15,17H2,1H3,(H,28,32)
InChIKeyYRENCYSKNXJWAU-UHFFFAOYSA-N
MW539.53 g/mol
LogP4.49
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide (PubChem CID 24981103) has the molecular formula C25H32Cl2N4O3S and a molecular weight of 539.53 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide
PubChem CID24981103
Molecular FormulaC25H32Cl2N4O3S
Molecular Weight539.53 g/mol
Exact Mass538.16
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H32Cl2N4O3S/c1-2-29-12-14-30(15-13-29)24-9-7-20(35(33,34)31-10-4-3-5-11-31)18-23(24)28-25(32)17-19-6-8-21(26)22(27)16-19/h6-9,16,18H,2-5,10-15,17H2,1H3,(H,28,32)
InChIKeyYRENCYSKNXJWAU-UHFFFAOYSA-N
XLogP4.49
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide (CID 24981103) is 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
The InChIKey is YRENCYSKNXJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N4O3S/c1-2-29-12-14-30(15-13-29)24-9-7-20(35(33,34)31-10-4-3-5-11-31)18-23(24)28-25(32)17-19-6-8-21(26)22(27)16-19/h6-9,16,18H,2-5,10-15,17H2,1H3,(H,28,32).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide has a molecular weight of 539.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide is sourced from PubChem (CID 24981103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).