N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide

C23H25NO7S — CID 22584481

IUPACN-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H25NO7S/c1-15-7-9-17(10-8-15)32(26,27)21(18-6-5-11-31-18)14-24-23(25)16-12-19(28-2)22(30-4)20(13-16)29-3/h5-13,21H,14H2,1-4H3,(H,24,25)
InChIKeyUQAFBANPUDBJMQ-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.56
Rot. Bonds9

About N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide

N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide (PubChem CID 22584481) has the molecular formula C23H25NO7S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
PubChem CID22584481
Molecular FormulaC23H25NO7S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC NameN-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H25NO7S/c1-15-7-9-17(10-8-15)32(26,27)21(18-6-5-11-31-18)14-24-23(25)16-12-19(28-2)22(30-4)20(13-16)29-3/h5-13,21H,14H2,1-4H3,(H,24,25)
InChIKeyUQAFBANPUDBJMQ-UHFFFAOYSA-N
XLogP3.56
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 27506094
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-nitrobenzamide
CID 7268115
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9160400
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide (CID 22584481) is N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is UQAFBANPUDBJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7S/c1-15-7-9-17(10-8-15)32(26,27)21(18-6-5-11-31-18)14-24-23(25)16-12-19(28-2)22(30-4)20(13-16)29-3/h5-13,21H,14H2,1-4H3,(H,24,25).
What are the key properties of N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide?
N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 459.52 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 22584481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).