N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide

C17H24N4O4S — CID 118022066

IUPACN-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C17H24N4O4S/c1-5-7-8-12-10-18-17(20-26(23,24)6-2)19-15(12)13-9-14(25-4)16(22)21(3)11-13/h9-11H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyOCBZFDHWKDMBFH-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.96
Rot. Bonds8

About N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide

N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide (PubChem CID 118022066) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
PubChem CID118022066
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C17H24N4O4S/c1-5-7-8-12-10-18-17(20-26(23,24)6-2)19-15(12)13-9-14(25-4)16(22)21(3)11-13/h9-11H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyOCBZFDHWKDMBFH-UHFFFAOYSA-N
XLogP1.96
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.96
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-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide (CID 118022066) is N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide is CCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(OC)c(=O)n(C)c1.
What is the InChIKey of N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The InChIKey is OCBZFDHWKDMBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-5-7-8-12-10-18-17(20-26(23,24)6-2)19-15(12)13-9-14(25-4)16(22)21(3)11-13/h9-11H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
N-[5-butyl-4-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.96, 8 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-methoxy-1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118022066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).