N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide

C21H24N4O3S2 — CID 71797475

IUPACN-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C21H24N4O3S2/c1-15(26)23-16-8-10-19(11-9-16)30(27,28)22-14-17-13-20(21-7-4-12-29-21)25(24-17)18-5-2-3-6-18/h4,7-13,18,22H,2-3,5-6,14H2,1H3,(H,23,26)
InChIKeyVEOWQUORWBCTSU-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.16
Rot. Bonds7

About N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 71797475) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID71797475
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C21H24N4O3S2/c1-15(26)23-16-8-10-19(11-9-16)30(27,28)22-14-17-13-20(21-7-4-12-29-21)25(24-17)18-5-2-3-6-18/h4,7-13,18,22H,2-3,5-6,14H2,1H3,(H,23,26)
InChIKeyVEOWQUORWBCTSU-UHFFFAOYSA-N
XLogP4.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-{N-[4-(Propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[(thiophen-2-YL)methyl]acetamide
CID 5307135
1-Butyl-3-[4-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)phenyl]sulfonylurea
CID 118715440
2-((4-fluorophenyl)thio)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797412
N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797442
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}-1-(4-fluorophenyl)methanesulfonamide
CID 71797472
N-(4-(N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)sulfamoyl)phenyl)acetamide
CID 15943579
2-(benzylthio)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797409
N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71797421
(E)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-2-phenylethenesulfonamide
CID 71797432
N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 71797465
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}cyclopropanesulfonamide
CID 71797470
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}thiophene-2-sulfonamide
CID 71797471

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide (CID 71797475) is N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)cc1.
What is the InChIKey of N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is VEOWQUORWBCTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-15(26)23-16-8-10-19(11-9-16)30(27,28)22-14-17-13-20(21-7-4-12-29-21)25(24-17)18-5-2-3-6-18/h4,7-13,18,22H,2-3,5-6,14H2,1H3,(H,23,26).
What are the key properties of N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 71797475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).