2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

C24H24N4O3S2 — CID 41119670

IUPAC2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C24H24N4O3S2/c25-17-20-9-4-5-11-22(20)33(30,31)28-14-12-27(13-15-28)18-23(29)26-24(21-10-6-16-32-21)19-7-2-1-3-8-19/h1-11,16,24H,12-15,18H2,(H,26,29)/t24-/m1/s1
InChIKeyHJJOTKZNMRGPKM-XMMPIXPASA-N
MW480.62 g/mol
LogP2.83
Rot. Bonds7

About 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 41119670) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID41119670
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C24H24N4O3S2/c25-17-20-9-4-5-11-22(20)33(30,31)28-14-12-27(13-15-28)18-23(29)26-24(21-10-6-16-32-21)19-7-2-1-3-8-19/h1-11,16,24H,12-15,18H2,(H,26,29)/t24-/m1/s1
InChIKeyHJJOTKZNMRGPKM-XMMPIXPASA-N
XLogP2.83
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 98314213
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9286814
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8749332
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 9286817
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(4-ethylphenyl)acetamide
CID 9286797
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9286824
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (CID 41119670) is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccccc2)c2cccs2)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is HJJOTKZNMRGPKM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N4O3S2/c25-17-20-9-4-5-11-22(20)33(30,31)28-14-12-27(13-15-28)18-23(29)26-24(21-10-6-16-32-21)19-7-2-1-3-8-19/h1-11,16,24H,12-15,18H2,(H,26,29)/t24-/m1/s1.
What are the key properties of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 480.62 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 41119670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).