N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C22H24ClN3O4S2 — CID 24680241

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H24ClN3O4S2/c1-24(15-19-8-9-20(30-19)17-4-6-18(23)7-5-17)21(27)16-25-10-12-26(13-11-25)32(28,29)22-3-2-14-31-22/h2-9,14H,10-13,15-16H2,1H3
InChIKeyPVORFLNNGZXCKL-UHFFFAOYSA-N
MW494.04 g/mol
LogP3.63
Rot. Bonds7

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 24680241) has the molecular formula C22H24ClN3O4S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID24680241
Molecular FormulaC22H24ClN3O4S2
Molecular Weight494.04 g/mol
Exact Mass493.09
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H24ClN3O4S2/c1-24(15-19-8-9-20(30-19)17-4-6-18(23)7-5-17)21(27)16-25-10-12-26(13-11-25)32(28,29)22-3-2-14-31-22/h2-9,14H,10-13,15-16H2,1H3
InChIKeyPVORFLNNGZXCKL-UHFFFAOYSA-N
XLogP3.63
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27780624
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561283
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18087539
N-[1-(3-chlorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 42913648
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 3514819
1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366490
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655772
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 24680241) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is PVORFLNNGZXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S2/c1-24(15-19-8-9-20(30-19)17-4-6-18(23)7-5-17)21(27)16-25-10-12-26(13-11-25)32(28,29)22-3-2-14-31-22/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 494.04 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24680241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).