3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide

C22H23NO4S — CID 43054440

IUPAC3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23NO4S/c1-15-9-10-16(2)20(13-15)17(3)23-22(24)21-18(11-12-27-21)14-28(25,26)19-7-5-4-6-8-19/h4-13,17H,14H2,1-3H3,(H,23,24)
InChIKeyGHEZOGDRFNEUAU-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.36
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide (PubChem CID 43054440) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
PubChem CID43054440
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H23NO4S/c1-15-9-10-16(2)20(13-15)17(3)23-22(24)21-18(11-12-27-21)14-28(25,26)19-7-5-4-6-8-19/h4-13,17H,14H2,1-3H3,(H,23,24)
InChIKeyGHEZOGDRFNEUAU-UHFFFAOYSA-N
XLogP4.36
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55611522
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 37018546
N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 42931673
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677
3-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-carboxylic acid
CID 43153115
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906
3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 46664615
3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
CID 46665405
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26371719

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide (CID 43054440) is 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is GHEZOGDRFNEUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-15-9-10-16(2)20(13-15)17(3)23-22(24)21-18(11-12-27-21)14-28(25,26)19-7-5-4-6-8-19/h4-13,17H,14H2,1-3H3,(H,23,24).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 43054440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).