5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C18H17NO5S2 — CID 3239414

IUPAC5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccs2)o1
InChIInChI=1S/C18H17NO5S2/c1-23-15-6-2-3-7-17(15)26(21,22)12-13-8-9-16(24-13)18(20)19-11-14-5-4-10-25-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyQKSPAUBUTIMTFL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.25
Rot. Bonds7

About 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 3239414) has the molecular formula C18H17NO5S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID3239414
Molecular FormulaC18H17NO5S2
Molecular Weight391.47 g/mol
Exact Mass391.05
IUPAC Name5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccs2)o1
InChIInChI=1S/C18H17NO5S2/c1-23-15-6-2-3-7-17(15)26(21,22)12-13-8-9-16(24-13)18(20)19-11-14-5-4-10-25-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyQKSPAUBUTIMTFL-UHFFFAOYSA-N
XLogP3.25
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 3239414) is 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccs2)o1.
What is the InChIKey of 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is QKSPAUBUTIMTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S2/c1-23-15-6-2-3-7-17(15)26(21,22)12-13-8-9-16(24-13)18(20)19-11-14-5-4-10-25-14/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)sulfonylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3239414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).