N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide

C21H24N4O3S2 — CID 86266290

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1
InChIInChI=1S/C21H24N4O3S2/c1-24(2)30(27,28)18-7-5-16(6-8-18)21(26)22-10-11-25-20(15-3-4-15)13-19(23-25)17-9-12-29-14-17/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,22,26)
InChIKeyJCZVGIKAYNBLSK-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.17
Rot. Bonds8

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 86266290) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID86266290
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1
InChIInChI=1S/C21H24N4O3S2/c1-24(2)30(27,28)18-7-5-16(6-8-18)21(26)22-10-11-25-20(15-3-4-15)13-19(23-25)17-9-12-29-14-17/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,22,26)
InChIKeyJCZVGIKAYNBLSK-UHFFFAOYSA-N
XLogP3.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
2-[4-[(1R)-1-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid
CID 155526686
N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 2819932
1-(2,4-Dimethylbenzenesulfonyl)-4-[3-(thiophen-2-YL)-1H-pyrazole-5-carbonyl]piperazine
CID 20910800
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
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
US9156811, Ddd73238
CID 58561386
1-Methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,4-dihydrothiochromeno[4,3-C]pyrazole-3-carboxamide 5,5-dioxide
CID 22519985
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-5-methylthiophene-2-carboxamide
CID 91892644
2-{N-[4-(Propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[(thiophen-2-YL)methyl]acetamide
CID 5307135

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide (CID 86266290) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is JCZVGIKAYNBLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-24(2)30(27,28)18-7-5-16(6-8-18)21(26)22-10-11-25-20(15-3-4-15)13-19(23-25)17-9-12-29-14-17/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 86266290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).