2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

C24H34N4O4S — CID 46456242

IUPAC2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H34N4O4S/c1-19(32-21-10-8-20(9-11-21)24(2,3)4)23(29)26-13-18-33(30,31)28-16-14-27(15-17-28)22-7-5-6-12-25-22/h5-12,19H,13-18H2,1-4H3,(H,26,29)
InChIKeyWUMKSGRHCBGERO-UHFFFAOYSA-N
MW474.63 g/mol
LogP2.41
Rot. Bonds8

About 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide (PubChem CID 46456242) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
PubChem CID46456242
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H34N4O4S/c1-19(32-21-10-8-20(9-11-21)24(2,3)4)23(29)26-13-18-33(30,31)28-16-14-27(15-17-28)22-7-5-6-12-25-22/h5-12,19H,13-18H2,1-4H3,(H,26,29)
InChIKeyWUMKSGRHCBGERO-UHFFFAOYSA-N
XLogP2.41
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
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-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 46456245
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
1-(4-propan-2-ylphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]thiourea
CID 43076724
3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 55777397
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]furan-2-carboxamide
CID 55692437

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide (CID 46456242) is 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
The InChIKey is WUMKSGRHCBGERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-19(32-21-10-8-20(9-11-21)24(2,3)4)23(29)26-13-18-33(30,31)28-16-14-27(15-17-28)22-7-5-6-12-25-22/h5-12,19H,13-18H2,1-4H3,(H,26,29).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide?
2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide has a molecular weight of 474.63 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide is sourced from PubChem (CID 46456242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).