N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C17H20ClN3O3S2 — CID 2655772

IUPACN-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S2/c18-15-5-2-1-4-14(15)12-19-16(22)13-20-7-9-21(10-8-20)26(23,24)17-6-3-11-25-17/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyZYRDFEYKOHMTIY-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.02
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 2655772) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID2655772
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S2/c18-15-5-2-1-4-14(15)12-19-16(22)13-20-7-9-21(10-8-20)26(23,24)17-6-3-11-25-17/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyZYRDFEYKOHMTIY-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

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 39894799
N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217730
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830
N-[1-(3-chlorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 42913648
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 2655772) is N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is ZYRDFEYKOHMTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c18-15-5-2-1-4-14(15)12-19-16(22)13-20-7-9-21(10-8-20)26(23,24)17-6-3-11-25-17/h1-6,11H,7-10,12-13H2,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)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 N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2655772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).