N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide

C21H28ClN3O3S2 — CID 53118998

IUPACN-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCN(CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Cc1ccccc1
InChIInChI=1S/C21H28ClN3O3S2/c1-24(16-18-5-3-2-4-6-18)14-11-23-20(26)15-17-9-12-25(13-10-17)30(27,28)21-8-7-19(22)29-21/h2-8,17H,9-16H2,1H3,(H,23,26)
InChIKeyNWPUSQOLVHZKEW-UHFFFAOYSA-N
MW470.06 g/mol
LogP3.44
Rot. Bonds9

About N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide

N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 53118998) has the molecular formula C21H28ClN3O3S2 and a molecular weight of 470.06 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
PubChem CID53118998
Molecular FormulaC21H28ClN3O3S2
Molecular Weight470.06 g/mol
Exact Mass469.13
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCN(CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Cc1ccccc1
InChIInChI=1S/C21H28ClN3O3S2/c1-24(16-18-5-3-2-4-6-18)14-11-23-20(26)15-17-9-12-25(13-10-17)30(27,28)21-8-7-19(22)29-21/h2-8,17H,9-16H2,1H3,(H,23,26)
InChIKeyNWPUSQOLVHZKEW-UHFFFAOYSA-N
XLogP3.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.06
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 53118961
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 53118995
N-[(3S)-3-(azepan-1-yl)butyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 95088784
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 53118948
N-[3-[benzyl(methyl)amino]propyl]-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 46532542
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
N-[2-(dimethylamino)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767976
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 26328630

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide (CID 53118998) is N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide is CN(CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is NWPUSQOLVHZKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S2/c1-24(16-18-5-3-2-4-6-18)14-11-23-20(26)15-17-9-12-25(13-10-17)30(27,28)21-8-7-19(22)29-21/h2-8,17H,9-16H2,1H3,(H,23,26).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 470.06 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 53118998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).