4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid

C20H19NO5S — CID 143767348

IUPAC4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
SMILESCOc1ccccc1CN(Cc1ccco1)S(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C20H19NO5S/c1-25-19-7-3-2-5-16(19)13-21(14-17-6-4-12-26-17)27(24)18-10-8-15(9-11-18)20(22)23/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyQRSMUAYUNMAWHI-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.71
Rot. Bonds8

About 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid

4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid (PubChem CID 143767348) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid.

Molecular Properties

Compound Name4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
PubChem CID143767348
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
SMILESCOc1ccccc1CN(Cc1ccco1)S(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C20H19NO5S/c1-25-19-7-3-2-5-16(19)13-21(14-17-6-4-12-26-17)27(24)18-10-8-15(9-11-18)20(22)23/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyQRSMUAYUNMAWHI-UHFFFAOYSA-N
XLogP3.71
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39402827
4-[benzyl-[(4-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
CID 143767179
N-(furan-2-ylmethyl)-2-(2-methoxyphenoxy)-N-phenylacetamide
CID 18100575
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
4-[acetyl(furan-2-ylmethyl)amino]benzoic acid
CID 39359965
N-(furan-2-ylmethyl)-2-[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]acetamide
CID 111281997
N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide
CID 86873695
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
CID 34907145
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
1-[(2,3-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4232688
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090197

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid?
The IUPAC name of 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid (CID 143767348) is 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid.
What is the SMILES notation for 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid?
The canonical SMILES for 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid is COc1ccccc1CN(Cc1ccco1)S(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid?
The InChIKey is QRSMUAYUNMAWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-25-19-7-3-2-5-16(19)13-21(14-17-6-4-12-26-17)27(24)18-10-8-15(9-11-18)20(22)23/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid?
4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid has a molecular weight of 385.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid is sourced from PubChem (CID 143767348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).