N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

C19H17FN2O3S2 — CID 4979654

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1c[nH]c2ccc(F)cc12)Cc1ccco1
InChIInChI=1S/C19H17FN2O3S2/c20-15-5-6-18-17(11-15)14(12-21-18)7-8-22(13-16-3-1-9-25-16)27(23,24)19-4-2-10-26-19/h1-6,9-12,21H,7-8,13H2
InChIKeyDWNSKUPMNWNGAA-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.40
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 4979654) has the molecular formula C19H17FN2O3S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID4979654
Molecular FormulaC19H17FN2O3S2
Molecular Weight404.49 g/mol
Exact Mass404.07
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1c[nH]c2ccc(F)cc12)Cc1ccco1
InChIInChI=1S/C19H17FN2O3S2/c20-15-5-6-18-17(11-15)14(12-21-18)7-8-22(13-16-3-1-9-25-16)27(23,24)19-4-2-10-26-19/h1-6,9-12,21H,7-8,13H2
InChIKeyDWNSKUPMNWNGAA-UHFFFAOYSA-N
XLogP4.40
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156387
N,N-Bis(furan-2-yl-methyl)tryptamine
CID 53494133
2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
CID 16194334
4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 2120919
N-(furan-2-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 20918787
N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide
CID 53494266
2-Fluoro-N-(2-{3-[({[(furan-2-YL)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-YL}ethyl)benzamide
CID 3533095
2,6-difluoro-N-(2-{3-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide
CID 4055816
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 4424769
4-Fluoro-N-(2-{3-[({[(furan-2-YL)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-YL}ethyl)benzamide
CID 5213502
2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 36655716

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (CID 4979654) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCc1c[nH]c2ccc(F)cc12)Cc1ccco1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is DWNSKUPMNWNGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S2/c20-15-5-6-18-17(11-15)14(12-21-18)7-8-22(13-16-3-1-9-25-16)27(23,24)19-4-2-10-26-19/h1-6,9-12,21H,7-8,13H2.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 404.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 4979654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).