N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

C18H17NO6S — CID 5307390

IUPACN-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1
InChIInChI=1S/C18H17NO6S/c1-23-13-4-7-16(8-5-13)26(21,22)12-15-6-9-17(25-15)18(20)19-11-14-3-2-10-24-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyIJLQDYKBTCEVRO-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.79
Rot. Bonds7

About N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 5307390) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID5307390
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC NameN-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1
InChIInChI=1S/C18H17NO6S/c1-23-13-4-7-16(8-5-13)26(21,22)12-15-6-9-17(25-15)18(20)19-11-14-3-2-10-24-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyIJLQDYKBTCEVRO-UHFFFAOYSA-N
XLogP2.79
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (CID 5307390) is N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is IJLQDYKBTCEVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c1-23-13-4-7-16(8-5-13)26(21,22)12-15-6-9-17(25-15)18(20)19-11-14-3-2-10-24-14/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5307390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).