N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

C16H19N3O3S2 — CID 2742278

IUPACN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)n[nH]1
InChIInChI=1S/C16H19N3O3S2/c1-10-11(8-13(22-10)16(2,3)4)12-9-14(18-17-12)19-24(20,21)15-6-5-7-23-15/h5-9H,1-4H3,(H2,17,18,19)
InChIKeyHUNAFKUGDBHPEN-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.14
Rot. Bonds4

About N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 2742278) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID2742278
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)n[nH]1
InChIInChI=1S/C16H19N3O3S2/c1-10-11(8-13(22-10)16(2,3)4)12-9-14(18-17-12)19-24(20,21)15-6-5-7-23-15/h5-9H,1-4H3,(H2,17,18,19)
InChIKeyHUNAFKUGDBHPEN-UHFFFAOYSA-N
XLogP4.14
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-Dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31223736
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
CID 2742271
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2742267
5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079590
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55091812
5-(5-methylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62500859
5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62501368
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503057
4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153389
5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 79094327
5-(2-ethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 105718971
5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 114821094

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 2742278) is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)n[nH]1.
What is the InChIKey of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is HUNAFKUGDBHPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-10-11(8-13(22-10)16(2,3)4)12-9-14(18-17-12)19-24(20,21)15-6-5-7-23-15/h5-9H,1-4H3,(H2,17,18,19).
What are the key properties of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 365.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2742278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).