N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide

C18H20N4O3S2 — CID 58561386

IUPACN-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C18H20N4O3S2/c1-12-17(13(2)22(3)20-12)21-27(24,25)16-10-9-15(26-16)11-19-18(23)14-7-5-4-6-8-14/h4-10,21H,11H2,1-3H3,(H,19,23)
InChIKeyGDLJAVVLJIKZOZ-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.83
Rot. Bonds6

About N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide

N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 58561386) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID58561386
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C18H20N4O3S2/c1-12-17(13(2)22(3)20-12)21-27(24,25)16-10-9-15(26-16)11-19-18(23)14-7-5-4-6-8-14/h4-10,21H,11H2,1-3H3,(H,19,23)
InChIKeyGDLJAVVLJIKZOZ-UHFFFAOYSA-N
XLogP2.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
4-(dimethylsulfamoyl)-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 4855540
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 164619960
4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2122224
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-5-methylthiophene-2-carboxamide
CID 91892644
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2323451
(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 2536761
2-(2,5-Dichloro-thiophene-3-sulfonylamino)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzamide
CID 2805555
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide
CID 164614073
US9156811, Ddd73224
CID 58561250

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide (CID 58561386) is N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is GDLJAVVLJIKZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-12-17(13(2)22(3)20-12)21-27(24,25)16-10-9-15(26-16)11-19-18(23)14-7-5-4-6-8-14/h4-10,21H,11H2,1-3H3,(H,19,23).
What are the key properties of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 404.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 58561386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).