N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C18H19NO5S — CID 131702587

IUPACN-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccco2)c2ccco2)c(C)c1
InChIInChI=1S/C18H19NO5S/c1-13-11-14(22-2)7-8-18(13)25(20,21)19-12-15(16-5-3-9-23-16)17-6-4-10-24-17/h3-11,15,19H,12H2,1-2H3
InChIKeyMWUFZEFWWYCQMZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.30
Rot. Bonds7

About N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 131702587) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID131702587
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccco2)c2ccco2)c(C)c1
InChIInChI=1S/C18H19NO5S/c1-13-11-14(22-2)7-8-18(13)25(20,21)19-12-15(16-5-3-9-23-16)17-6-4-10-24-17/h3-11,15,19H,12H2,1-2H3
InChIKeyMWUFZEFWWYCQMZ-UHFFFAOYSA-N
XLogP3.30
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 126850421
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 86767927
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 122266139
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 131702585
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide
CID 121145601
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[4-[[2-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121145655
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
CID 131702588
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 131702587) is N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccco2)c2ccco2)c(C)c1.
What is the InChIKey of N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is MWUFZEFWWYCQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-13-11-14(22-2)7-8-18(13)25(20,21)19-12-15(16-5-3-9-23-16)17-6-4-10-24-17/h3-11,15,19H,12H2,1-2H3.
What are the key properties of N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 131702587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).