N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide

C18H20N4O3S2 — CID 86266432

IUPACN-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)c(C)c1
InChIInChI=1S/C18H20N4O3S2/c1-13-11-16(20-14(2)23)3-4-18(13)27(24,25)19-7-9-22-8-5-17(21-22)15-6-10-26-12-15/h3-6,8,10-12,19H,7,9H2,1-2H3,(H,20,23)
InChIKeyHRIXMRKUZOWINL-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.86
Rot. Bonds7

About N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide

N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 86266432) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID86266432
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)c(C)c1
InChIInChI=1S/C18H20N4O3S2/c1-13-11-16(20-14(2)23)3-4-18(13)27(24,25)19-7-9-22-8-5-17(21-22)15-6-10-26-12-15/h3-6,8,10-12,19H,7,9H2,1-2H3,(H,20,23)
InChIKeyHRIXMRKUZOWINL-UHFFFAOYSA-N
XLogP2.86
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 9670310
2-{N-[4-(Propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[(thiophen-2-YL)methyl]acetamide
CID 5307135
3-methyl-N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-thiophenesulfonamide
CID 24816641
1-(4-Sulfamoylphenyl)-3-(2-thienyl)pyrazole-4-carbothioamide
CID 52916762
N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71808172
2-((4-fluorophenyl)thio)-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 86266368
2-((difluoromethyl)sulfonyl)-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 86266389
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)propane-1-sulfonamide
CID 86266413
1-(2,5-difluorophenyl)-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 91629211
N-(2,5-dimethylphenyl)-4-(1-ethyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130967
2-(benzylthio)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797409
N-(4-(N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)sulfamoyl)phenyl)acetamide
CID 71797475

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide (CID 86266432) is N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is HRIXMRKUZOWINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-13-11-16(20-14(2)23)3-4-18(13)27(24,25)19-7-9-22-8-5-17(21-22)15-6-10-26-12-15/h3-6,8,10-12,19H,7,9H2,1-2H3,(H,20,23).
What are the key properties of N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 86266432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).