N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide

C21H30N4O6S — CID 142709743

IUPACN-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide
SMILESCCCOc1nccc(=O)n1-c1ccc(S(=O)(=O)N(CCO)CCN2CCOCC2)cc1
InChIInChI=1S/C21H30N4O6S/c1-2-15-31-21-22-8-7-20(27)25(21)18-3-5-19(6-4-18)32(28,29)24(11-14-26)10-9-23-12-16-30-17-13-23/h3-8,26H,2,9-17H2,1H3
InChIKeyXPCNTXSXNRIYCC-UHFFFAOYSA-N
MW466.56 g/mol
LogP0.34
Rot. Bonds11

About N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide

N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide (PubChem CID 142709743) has the molecular formula C21H30N4O6S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide
PubChem CID142709743
Molecular FormulaC21H30N4O6S
Molecular Weight466.56 g/mol
Exact Mass466.19
IUPAC NameN-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide
SMILESCCCOc1nccc(=O)n1-c1ccc(S(=O)(=O)N(CCO)CCN2CCOCC2)cc1
InChIInChI=1S/C21H30N4O6S/c1-2-15-31-21-22-8-7-20(27)25(21)18-3-5-19(6-4-18)32(28,29)24(11-14-26)10-9-23-12-16-30-17-13-23/h3-8,26H,2,9-17H2,1H3
InChIKeyXPCNTXSXNRIYCC-UHFFFAOYSA-N
XLogP0.34
TPSA114.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 3184608
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 135471894
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 135445035
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67194494
N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67195274
N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67195324
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-ethoxy-3-oxopropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242963
4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 146242989
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243076
4-[4-[4-(dimethylsulfamoyl)phenyl]-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243087
5-(3-Hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one
CID 146251918
ethyl (E)-3-[4-[4-(dimethylsulfamoyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate
CID 146251928

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide (CID 142709743) is N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide is CCCOc1nccc(=O)n1-c1ccc(S(=O)(=O)N(CCO)CCN2CCOCC2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide?
The InChIKey is XPCNTXSXNRIYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6S/c1-2-15-31-21-22-8-7-20(27)25(21)18-3-5-19(6-4-18)32(28,29)24(11-14-26)10-9-23-12-16-30-17-13-23/h3-8,26H,2,9-17H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide?
N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 0.34, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-(6-oxo-2-propoxypyrimidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 142709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).