5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide

C20H24N4O4S2 — CID 56555872

IUPAC5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1
InChIInChI=1S/C20H24N4O4S2/c1-5-24(6-2)30(26,27)14-8-9-17(28-4)15(11-14)20(25)21-19-12-16(22-23-19)18-10-7-13(3)29-18/h7-12H,5-6H2,1-4H3,(H2,21,22,23,25)
InChIKeyCOMBQDXHJIOLBY-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.74
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide

5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide (PubChem CID 56555872) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide
PubChem CID56555872
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC Name5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1
InChIInChI=1S/C20H24N4O4S2/c1-5-24(6-2)30(26,27)14-8-9-17(28-4)15(11-14)20(25)21-19-12-16(22-23-19)18-10-7-13(3)29-18/h7-12H,5-6H2,1-4H3,(H2,21,22,23,25)
InChIKeyCOMBQDXHJIOLBY-UHFFFAOYSA-N
XLogP3.74
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-2-methoxy-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56577421
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
2-(methylamino)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-5-nitrobenzamide
CID 56555778
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide (CID 56555872) is 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is COMBQDXHJIOLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-5-24(6-2)30(26,27)14-8-9-17(28-4)15(11-14)20(25)21-19-12-16(22-23-19)18-10-7-13(3)29-18/h7-12H,5-6H2,1-4H3,(H2,21,22,23,25).
What are the key properties of 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide?
5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methoxy-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 56555872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).