2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H29N5O3S — CID 16573037

IUPAC2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccn2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H29N5O3S/c28-22(18-26-14-12-25(13-15-26)17-20-6-1-2-9-23-20)24-19-7-5-8-21(16-19)31(29,30)27-10-3-4-11-27/h1-2,5-9,16H,3-4,10-15,17-18H2,(H,24,28)
InChIKeyOIGUAPYCSMGQFY-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.62
Rot. Bonds7

About 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 16573037) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID16573037
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccn2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H29N5O3S/c28-22(18-26-14-12-25(13-15-26)17-20-6-1-2-9-23-20)24-19-7-5-8-21(16-19)31(29,30)27-10-3-4-11-27/h1-2,5-9,16H,3-4,10-15,17-18H2,(H,24,28)
InChIKeyOIGUAPYCSMGQFY-UHFFFAOYSA-N
XLogP1.62
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7753229
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961
2-pyrazol-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 39723892
2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 47029385
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-(3-methylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8618487
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46646959
oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2901483
2-(2,3-dihydroindol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 16573037) is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CN1CCN(Cc2ccccn2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is OIGUAPYCSMGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c28-22(18-26-14-12-25(13-15-26)17-20-6-1-2-9-23-20)24-19-7-5-8-21(16-19)31(29,30)27-10-3-4-11-27/h1-2,5-9,16H,3-4,10-15,17-18H2,(H,24,28).
What are the key properties of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 443.57 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16573037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).