3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

C21H28N6O4S — CID 55963186

IUPAC3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N6O4S/c28-20(9-11-24-21(29)25-18-6-2-1-3-7-18)23-12-17-32(30,31)27-15-13-26(14-16-27)19-8-4-5-10-22-19/h1-8,10H,9,11-17H2,(H,23,28)(H2,24,25,29)
InChIKeyDIDSATBPQJSICY-UHFFFAOYSA-N
MW460.56 g/mol
LogP0.86
Rot. Bonds9

About 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide (PubChem CID 55963186) has the molecular formula C21H28N6O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
PubChem CID55963186
Molecular FormulaC21H28N6O4S
Molecular Weight460.56 g/mol
Exact Mass460.19
IUPAC Name3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N6O4S/c28-20(9-11-24-21(29)25-18-6-2-1-3-7-18)23-12-17-32(30,31)27-15-13-26(14-16-27)19-8-4-5-10-22-19/h1-8,10H,9,11-17H2,(H,23,28)(H2,24,25,29)
InChIKeyDIDSATBPQJSICY-UHFFFAOYSA-N
XLogP0.86
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
1-(4-ethylphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]thiourea
CID 43076716
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
1-(4-propan-2-ylphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]thiourea
CID 43076724
2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 46456245
4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 46455798
2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 55692362
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
The IUPAC name of 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide (CID 55963186) is 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide is O=C(CCNC(=O)Nc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
The InChIKey is DIDSATBPQJSICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O4S/c28-20(9-11-24-21(29)25-18-6-2-1-3-7-18)23-12-17-32(30,31)27-15-13-26(14-16-27)19-8-4-5-10-22-19/h1-8,10H,9,11-17H2,(H,23,28)(H2,24,25,29).
What are the key properties of 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide has a molecular weight of 460.56 g/mol, XLogP of 0.86, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide is sourced from PubChem (CID 55963186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).