2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide

C17H27N5O4S — CID 120731406

IUPAC2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H27N5O4S/c1-13(2)21-16(23)12-20-27(25,26)9-5-17(24)22-8-7-19-11-15(22)14-4-3-6-18-10-14/h3-4,6,10,13,15,19-20H,5,7-9,11-12H2,1-2H3,(H,21,23)
InChIKeyVSXMGQLXJJHGLN-UHFFFAOYSA-N
MW397.50 g/mol
LogP-0.61
Rot. Bonds8

About 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide

2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 120731406) has the molecular formula C17H27N5O4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide
PubChem CID120731406
Molecular FormulaC17H27N5O4S
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H27N5O4S/c1-13(2)21-16(23)12-20-27(25,26)9-5-17(24)22-8-7-19-11-15(22)14-4-3-6-18-10-14/h3-4,6,10,13,15,19-20H,5,7-9,11-12H2,1-2H3,(H,21,23)
InChIKeyVSXMGQLXJJHGLN-UHFFFAOYSA-N
XLogP-0.61
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
3-(4-methylphenyl)sulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731732
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
1-(2-pyridin-3-ylpiperazin-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one;hydrochloride
CID 120730031
4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 120731688
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863
N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide
CID 120732203
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
N-methyl-4-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide;hydrochloride
CID 120729176
1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120731043
2-pentylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731933

Frequently Asked Questions

What is the IUPAC name of 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide (CID 120731406) is 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is VSXMGQLXJJHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4S/c1-13(2)21-16(23)12-20-27(25,26)9-5-17(24)22-8-7-19-11-15(22)14-4-3-6-18-10-14/h3-4,6,10,13,15,19-20H,5,7-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide?
2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 397.50 g/mol, XLogP of -0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 120731406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).