N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide

C22H23NO5S — CID 9162219

IUPACN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H23NO5S/c1-15-9-10-16(2)20(12-15)29(25,26)21(19-8-5-11-28-19)14-23-22(24)17-6-4-7-18(13-17)27-3/h4-13,21H,14H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyHWDALYAGNRLDTA-NRFANRHFSA-N
MW413.50 g/mol
LogP3.85
Rot. Bonds7

About N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide (PubChem CID 9162219) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
PubChem CID9162219
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H23NO5S/c1-15-9-10-16(2)20(12-15)29(25,26)21(19-8-5-11-28-19)14-23-22(24)17-6-4-7-18(13-17)27-3/h4-13,21H,14H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyHWDALYAGNRLDTA-NRFANRHFSA-N
XLogP3.85
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162221
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
CID 9162240
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 9162312
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9162182
N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 9162337
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 9162349
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 27506094
N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 22584481

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide (CID 9162219) is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
The InChIKey is HWDALYAGNRLDTA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-15-9-10-16(2)20(12-15)29(25,26)21(19-8-5-11-28-19)14-23-22(24)17-6-4-7-18(13-17)27-3/h4-13,21H,14H2,1-3H3,(H,23,24)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide?
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide has a molecular weight of 413.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 9162219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).