2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide

C20H33N5O3S — CID 55470568

IUPAC2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1
InChIInChI=1S/C20H33N5O3S/c1-6-9-21-20(26)15-23-10-12-24(13-11-23)19-8-7-18(14-22-19)29(27,28)25(16(2)3)17(4)5/h6-8,14,16-17H,1,9-13,15H2,2-5H3,(H,21,26)
InChIKeyKBCBZRQPNVAGOA-UHFFFAOYSA-N
MW423.58 g/mol
LogP1.31
Rot. Bonds9

About 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55470568) has the molecular formula C20H33N5O3S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55470568
Molecular FormulaC20H33N5O3S
Molecular Weight423.58 g/mol
Exact Mass423.23
IUPAC Name2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1
InChIInChI=1S/C20H33N5O3S/c1-6-9-21-20(26)15-23-10-12-24(13-11-23)19-8-7-18(14-22-19)29(27,28)25(16(2)3)17(4)5/h6-8,14,16-17H,1,9-13,15H2,2-5H3,(H,21,26)
InChIKeyKBCBZRQPNVAGOA-UHFFFAOYSA-N
XLogP1.31
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 37406824
N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522896
N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 26652997
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
N-(prop-2-enylcarbamoyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 46802067
1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052361
N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 7998646
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567
6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 55470803
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 43036041
(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059850
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 55470568) is 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1.
What is the InChIKey of 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is KBCBZRQPNVAGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3S/c1-6-9-21-20(26)15-23-10-12-24(13-11-23)19-8-7-18(14-22-19)29(27,28)25(16(2)3)17(4)5/h6-8,14,16-17H,1,9-13,15H2,2-5H3,(H,21,26).
What are the key properties of 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 423.58 g/mol, XLogP of 1.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55470568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).