N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide

C15H19NO4S — CID 121145601

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1C)c1ccco1
InChIInChI=1S/C15H19NO4S/c1-11-6-7-15(12(2)9-11)21(17,18)16-10-14(19-3)13-5-4-8-20-13/h4-9,14,16H,10H2,1-3H3
InChIKeyMEESSSQQDNNPKP-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide

N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 121145601) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID121145601
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1C)c1ccco1
InChIInChI=1S/C15H19NO4S/c1-11-6-7-15(12(2)9-11)21(17,18)16-10-14(19-3)13-5-4-8-20-13/h4-9,14,16H,10H2,1-3H3
InChIKeyMEESSSQQDNNPKP-UHFFFAOYSA-N
XLogP2.56
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121145655
4-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]-3,5-dimethylbenzenesulfonamide
CID 121145658
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 131702587
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607
2,6-difluoro-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876460
N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 121145620
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-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide (CID 121145601) is N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C)cc1C)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is MEESSSQQDNNPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11-6-7-15(12(2)9-11)21(17,18)16-10-14(19-3)13-5-4-8-20-13/h4-9,14,16H,10H2,1-3H3.
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 121145601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).