N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide

C16H17N5O4S — CID 72933072

IUPACN-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide
SMILESCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccno3)c2)cn1
InChIInChI=1S/C16H17N5O4S/c1-21-11-12(9-18-21)8-17-16(22)13-3-2-4-15(7-13)26(23,24)20-10-14-5-6-19-25-14/h2-7,9,11,20H,8,10H2,1H3,(H,17,22)
InChIKeyUQRQLEPIBKZLNZ-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.82
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide

N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide (PubChem CID 72933072) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide
PubChem CID72933072
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide
SMILESCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccno3)c2)cn1
InChIInChI=1S/C16H17N5O4S/c1-21-11-12(9-18-21)8-17-16(22)13-3-2-4-15(7-13)26(23,24)20-10-14-5-6-19-25-14/h2-7,9,11,20H,8,10H2,1H3,(H,17,22)
InChIKeyUQRQLEPIBKZLNZ-UHFFFAOYSA-N
XLogP0.82
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
CID 72866477
N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide
CID 97201214
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 77091569
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide (CID 72933072) is N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide is Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccno3)c2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide?
The InChIKey is UQRQLEPIBKZLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-21-11-12(9-18-21)8-17-16(22)13-3-2-4-15(7-13)26(23,24)20-10-14-5-6-19-25-14/h2-7,9,11,20H,8,10H2,1H3,(H,17,22).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide?
N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide has a molecular weight of 375.41 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 72933072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).