N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H20N2O3S2 — CID 121123889

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nc(-c2ccco2)sc1CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20N2O3S2/c1-13-18(25-19(21-13)17-7-4-10-24-17)12-20-26(22,23)16-9-8-14-5-2-3-6-15(14)11-16/h4,7-11,20H,2-3,5-6,12H2,1H3
InChIKeyREFBKNZTRFPLAP-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.07
Rot. Bonds5

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 121123889) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID121123889
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nc(-c2ccco2)sc1CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20N2O3S2/c1-13-18(25-19(21-13)17-7-4-10-24-17)12-20-26(22,23)16-9-8-14-5-2-3-6-15(14)11-16/h4,7-11,20H,2-3,5-6,12H2,1H3
InChIKeyREFBKNZTRFPLAP-UHFFFAOYSA-N
XLogP4.07
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123854
4-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 121123906
4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121123866
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide
CID 121123926
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclohexanesulfonamide
CID 121123943
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110395413
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 121123947
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
CID 121123450
N-(1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 32944502
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122317958

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 121123889) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1nc(-c2ccco2)sc1CNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is REFBKNZTRFPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-13-18(25-19(21-13)17-7-4-10-24-17)12-20-26(22,23)16-9-8-14-5-2-3-6-15(14)11-16/h4,7-11,20H,2-3,5-6,12H2,1H3.
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 388.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 121123889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).