N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide

C18H21N3O4S2 — CID 17498412

IUPACN-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)Cc3ccco3)c2C)s1
InChIInChI=1S/C18H21N3O4S2/c1-12-7-8-17(26-12)16(22)11-21-14(3)18(13(2)19-21)27(23,24)20(4)10-15-6-5-9-25-15/h5-9H,10-11H2,1-4H3
InChIKeyOWDVGKSBQIQVTO-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.17
Rot. Bonds7

About N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide

N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide (PubChem CID 17498412) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide
PubChem CID17498412
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)Cc3ccco3)c2C)s1
InChIInChI=1S/C18H21N3O4S2/c1-12-7-8-17(26-12)16(22)11-21-14(3)18(13(2)19-21)27(23,24)20(4)10-15-6-5-9-25-15/h5-9H,10-11H2,1-4H3
InChIKeyOWDVGKSBQIQVTO-UHFFFAOYSA-N
XLogP3.17
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide (CID 17498412) is N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide is Cc1ccc(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)Cc3ccco3)c2C)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
The InChIKey is OWDVGKSBQIQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-12-7-8-17(26-12)16(22)11-21-14(3)18(13(2)19-21)27(23,24)20(4)10-15-6-5-9-25-15/h5-9H,10-11H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide?
N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide has a molecular weight of 407.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 17498412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).