3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C20H19NO5S — CID 51283662

IUPAC3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19NO5S/c1-25-17-9-7-15(8-10-17)13-21-20(22)19-16(11-12-26-19)14-27(23,24)18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyHPYODFBVGXNTRT-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.19
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 51283662) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID51283662
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19NO5S/c1-25-17-9-7-15(8-10-17)13-21-20(22)19-16(11-12-26-19)14-27(23,24)18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyHPYODFBVGXNTRT-UHFFFAOYSA-N
XLogP3.19
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
4-[[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 75431889
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
3-[2-(benzenesulfonyl)ethyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133731
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
CID 46665405
3-(benzenesulfonylmethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55611522

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 51283662) is 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is HPYODFBVGXNTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-25-17-9-7-15(8-10-17)13-21-20(22)19-16(11-12-26-19)14-27(23,24)18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 51283662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).