N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

C17H21N3O3S2 — CID 71806448

IUPACN-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C17H21N3O3S2/c1-13-17(14(2)19(3)18-13)25(21,22)20(11-15-7-9-23-12-15)8-6-16-5-4-10-24-16/h4-5,7,9-10,12H,6,8,11H2,1-3H3
InChIKeyDPMFOQSDIKZZIR-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.13
Rot. Bonds7

About N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 71806448) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID71806448
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C17H21N3O3S2/c1-13-17(14(2)19(3)18-13)25(21,22)20(11-15-7-9-23-12-15)8-6-16-5-4-10-24-16/h4-5,7,9-10,12H,6,8,11H2,1-3H3
InChIKeyDPMFOQSDIKZZIR-UHFFFAOYSA-N
XLogP3.13
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-3-ylmethyl)-1-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717961
N-(furan-2-ylmethyl)-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)thiophene-2-sulfonamide
CID 86266551
N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide
CID 17498412
N-(furan-2-ylmethyl)-1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 16356268
N-(furan-2-ylmethyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131053
1-[5-(3-furylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]-N-methyl-N-(2-thienylmethyl)methanamine
CID 56904986
N-(furan-3-ylmethyl)-1-methyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 72717977
4-(Furan-2-ylmethylsulfonyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90590747
4-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-7-(furan-2-yl)-1,4-thiazepane
CID 90632556
5-ethyl-N-(furan-2-ylmethyl)-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)thiophene-2-sulfonamide
CID 92109615
2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 99162499
N-[[3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]-1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 100654273

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (CID 71806448) is N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is DPMFOQSDIKZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-13-17(14(2)19(3)18-13)25(21,22)20(11-15-7-9-23-12-15)8-6-16-5-4-10-24-16/h4-5,7,9-10,12H,6,8,11H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 379.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71806448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).