2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H20ClN3O3S2 — CID 24979210

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3O3S2/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-15-2-1-11-25-15/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyATUVDUUDMYUSKM-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 24979210) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID24979210
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3O3S2/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-15-2-1-11-25-15/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyATUVDUUDMYUSKM-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N1-{2-[(4-chlorophenyl)sulfonyl]ethyl}-N1-(2-thienylmethyl)acetamide
CID 2820311
N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303
4-chloro-N-[(5-methylthiophen-2-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 54580710
3-(4-Chlorophenyl)sulfonyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2094713
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 2998565
N-[(2-Chlorophenyl)methyl]-2-(N-methylthiophene-2-sulfonamido)acetamide
CID 6619347
N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012503
N-[2-(benzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[(2-chlorophenyl)methyl]ethanediamide
CID 16032066
N-(1-benzylpiperidin-4-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 16341401
N-[2-(4-Chlorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]butanamide
CID 22581589
N-(4-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2470377
N-[2-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[(4-chlorophenyl)methyl]ethanediamide
CID 16032110

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 24979210) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1cccs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ATUVDUUDMYUSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-15-2-1-11-25-15/h1-6,11H,7-10,12-13H2,(H,19,22).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 413.95 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 24979210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).