N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide

C17H24N4O4S — CID 172836422

IUPACN-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1C1N=CC(COC)=CC1=O
InChIInChI=1S/C17H24N4O4S/c1-4-6-7-13-10-19-17(21-26(23,24)5-2)20-15(13)16-14(22)8-12(9-18-16)11-25-3/h8-10,16H,4-7,11H2,1-3H3,(H,19,20,21)
InChIKeyWFBGCQUAOLIVPE-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.85
Rot. Bonds9

About N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide

N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide (PubChem CID 172836422) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide
PubChem CID172836422
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1C1N=CC(COC)=CC1=O
InChIInChI=1S/C17H24N4O4S/c1-4-6-7-13-10-19-17(21-26(23,24)5-2)20-15(13)16-14(22)8-12(9-18-16)11-25-3/h8-10,16H,4-7,11H2,1-3H3,(H,19,20,21)
InChIKeyWFBGCQUAOLIVPE-UHFFFAOYSA-N
XLogP1.85
TPSA110.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide (CID 172836422) is N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide is CCCCc1cnc(NS(=O)(=O)CC)nc1C1N=CC(COC)=CC1=O.
What is the InChIKey of N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide?
The InChIKey is WFBGCQUAOLIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-4-6-7-13-10-19-17(21-26(23,24)5-2)20-15(13)16-14(22)8-12(9-18-16)11-25-3/h8-10,16H,4-7,11H2,1-3H3,(H,19,20,21).
What are the key properties of N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide?
N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-butyl-4-[5-(methoxymethyl)-3-oxo-2H-pyridin-2-yl]pyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 172836422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).