N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H17NO4S2 — CID 119102210

IUPACN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H17NO4S2/c20-25(21,16-2-3-17-13(11-16)7-10-23-17)19-8-5-15-1-4-18(24-15)14-6-9-22-12-14/h1-4,6,9,11-12,19H,5,7-8,10H2
InChIKeyNBJTXLKZPFLFLX-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.46
Rot. Bonds6

About N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 119102210) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID119102210
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC NameN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H17NO4S2/c20-25(21,16-2-3-17-13(11-16)7-10-23-17)19-8-5-15-1-4-18(24-15)14-6-9-22-12-14/h1-4,6,9,11-12,19H,5,7-8,10H2
InChIKeyNBJTXLKZPFLFLX-UHFFFAOYSA-N
XLogP3.46
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 119102210) is N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is NBJTXLKZPFLFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c20-25(21,16-2-3-17-13(11-16)7-10-23-17)19-8-5-15-1-4-18(24-15)14-6-9-22-12-14/h1-4,6,9,11-12,19H,5,7-8,10H2.
What are the key properties of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 375.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 119102210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).