4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide

C18H24N4O4S — CID 135963533

IUPAC4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-7-9-22(10-8-13)18-20-14(11-17(23)21-18)12-19-27(24,25)16-5-3-15(26-2)4-6-16/h3-6,11,13,19H,7-10,12H2,1-2H3,(H,20,21,23)
InChIKeyJIZSFYMNZGSMQQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.49
Rot. Bonds6

About 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide

4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide (PubChem CID 135963533) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide
PubChem CID135963533
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-7-9-22(10-8-13)18-20-14(11-17(23)21-18)12-19-27(24,25)16-5-3-15(26-2)4-6-16/h3-6,11,13,19H,7-10,12H2,1-2H3,(H,20,21,23)
InChIKeyJIZSFYMNZGSMQQ-UHFFFAOYSA-N
XLogP1.49
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169212
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25034980
4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135978265
4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 136761470
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 114293987
4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 23603678
4-methoxy-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 26843069
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891751
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231
(1S,6S)-N-[[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 136815754
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide (CID 135963533) is 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is JIZSFYMNZGSMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-7-9-22(10-8-13)18-20-14(11-17(23)21-18)12-19-27(24,25)16-5-3-15(26-2)4-6-16/h3-6,11,13,19H,7-10,12H2,1-2H3,(H,20,21,23).
What are the key properties of 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 135963533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).