N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide

C14H15N3O3S2 — CID 126854740

IUPACN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(c2ccsc2)c2ccco2)c1
InChIInChI=1S/C14H15N3O3S2/c1-17-8-14(15-10-17)22(18,19)16-7-12(11-4-6-21-9-11)13-3-2-5-20-13/h2-6,8-10,12,16H,7H2,1H3
InChIKeyXFQXJDBQBMFBKW-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide

N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 126854740) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide
PubChem CID126854740
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC NameN-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(c2ccsc2)c2ccco2)c1
InChIInChI=1S/C14H15N3O3S2/c1-17-8-14(15-10-17)22(18,19)16-7-12(11-4-6-21-9-11)13-3-2-5-20-13/h2-6,8-10,12,16H,7H2,1H3
InChIKeyXFQXJDBQBMFBKW-UHFFFAOYSA-N
XLogP2.18
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide (CID 126854740) is N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(c2ccsc2)c2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is XFQXJDBQBMFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-17-8-14(15-10-17)22(18,19)16-7-12(11-4-6-21-9-11)13-3-2-5-20-13/h2-6,8-10,12,16H,7H2,1H3.
What are the key properties of N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 337.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 126854740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).