sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide

C18H24N5NaO8S — CID 173187465

IUPACsodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide
SMILESCNC=O.COC(=O)c1ccc(C)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[H-].[Na+]
InChIInChI=1S/C16H18N4O7S.C2H5NO.Na.H/c1-9-5-6-10(14(21)27-4)11(7-9)28(23,24)20-16(22)19-15-17-12(25-2)8-13(18-15)26-3;1-3-2-4;;/h5-8H,1-4H3,(H2,17,18,19,20,22);2H,1H3,(H,3,4);;/q;;+1;-1
InChIKeyUDNSAYOFPOWHMU-UHFFFAOYSA-N
MW493.47 g/mol
LogP-2.42
Rot. Bonds7

About sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide

sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide (PubChem CID 173187465) has the molecular formula C18H24N5NaO8S and a molecular weight of 493.47 g/mol. Its IUPAC name is sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide.

Molecular Properties

Compound Namesodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide
PubChem CID173187465
Molecular FormulaC18H24N5NaO8S
Molecular Weight493.47 g/mol
Exact Mass493.12
IUPAC Namesodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide
SMILESCNC=O.COC(=O)c1ccc(C)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[H-].[Na+]
InChIInChI=1S/C16H18N4O7S.C2H5NO.Na.H/c1-9-5-6-10(14(21)27-4)11(7-9)28(23,24)20-16(22)19-15-17-12(25-2)8-13(18-15)26-3;1-3-2-4;;/h5-8H,1-4H3,(H2,17,18,19,20,22);2H,1H3,(H,3,4);;/q;;+1;-1
InChIKeyUDNSAYOFPOWHMU-UHFFFAOYSA-N
XLogP-2.42
TPSA174.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl 4-methyl-2-(methylsulfamoyl)benzoate
CID 90729412
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
CID 21273967
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]benzoate
CID 13456603
sodium;[2-methoxycarbonyl-5-[(methylsulfanylperoxyamino)methyl]phenyl]sulfonyl-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azanide;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methylsulfanylperoxyamino)methyl]benzoate
CID 158303852
5-(bromomethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 19819265
oxetan-3-yl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;hydrate
CID 158777043
1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 18934189
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
1-(5-chloro-2-hydroxyphenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea;methanesulfonic acid
CID 88686342
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364392

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide?
The IUPAC name of sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide (CID 173187465) is sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide.
What is the SMILES notation for sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide?
The canonical SMILES for sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide is CNC=O.COC(=O)c1ccc(C)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[H-].[Na+].
What is the InChIKey of sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide?
The InChIKey is UDNSAYOFPOWHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O7S.C2H5NO.Na.H/c1-9-5-6-10(14(21)27-4)11(7-9)28(23,24)20-16(22)19-15-17-12(25-2)8-13(18-15)26-3;1-3-2-4;;/h5-8H,1-4H3,(H2,17,18,19,20,22);2H,1H3,(H,3,4);;/q;;+1;-1.
What are the key properties of sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide?
sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide has a molecular weight of 493.47 g/mol, XLogP of -2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-methylbenzoate;N-methylformamide is sourced from PubChem (CID 173187465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).