2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone

C23H31N3O3S2 — CID 110829053

IUPAC2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1cccs1)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H31N3O3S2/c27-22(19-8-6-9-20(16-19)31(28,29)26-13-4-5-14-26)18-24-17-21(23-10-7-15-30-23)25-11-2-1-3-12-25/h6-10,15-16,21,24H,1-5,11-14,17-18H2
InChIKeyJDQFPAHVIARQAB-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.53
Rot. Bonds9

About 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone

2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone (PubChem CID 110829053) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
PubChem CID110829053
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC Name2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1cccs1)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H31N3O3S2/c27-22(19-8-6-9-20(16-19)31(28,29)26-13-4-5-14-26)18-24-17-21(23-10-7-15-30-23)25-11-2-1-3-12-25/h6-10,15-16,21,24H,1-5,11-14,17-18H2
InChIKeyJDQFPAHVIARQAB-UHFFFAOYSA-N
XLogP3.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone with MolForge

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Related Compounds

2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829462
2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829317
2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829463
N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55923006
2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829599
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110829885
ethyl 1-[3-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]acetyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 110830414
2-[[2-(dimethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829028
1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone
CID 110825860
1-[3-(azepan-1-ylsulfonyl)phenyl]-2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
CID 110829171
2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829458
3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone (CID 110829053) is 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone is O=C(CNCC(c1cccs1)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is JDQFPAHVIARQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c27-22(19-8-6-9-20(16-19)31(28,29)26-13-4-5-14-26)18-24-17-21(23-10-7-15-30-23)25-11-2-1-3-12-25/h6-10,15-16,21,24H,1-5,11-14,17-18H2.
What are the key properties of 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone?
2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 461.65 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110829053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).