3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

C24H26FNO5S2 — CID 92693338

IUPAC3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESCCOc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1OCC
InChIInChI=1S/C24H26FNO5S2/c1-4-30-20-11-8-17(14-21(20)31-5-2)24(27)26-15-23(22-7-6-12-32-22)33(28,29)18-9-10-19(25)16(3)13-18/h6-14,23H,4-5,15H2,1-3H3,(H,26,27)/t23-/m1/s1
InChIKeyFGUJNOYUXVGFNP-HSZRJFAPSA-N
MW491.61 g/mol
LogP4.94
Rot. Bonds10

About 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (PubChem CID 92693338) has the molecular formula C24H26FNO5S2 and a molecular weight of 491.61 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
PubChem CID92693338
Molecular FormulaC24H26FNO5S2
Molecular Weight491.61 g/mol
Exact Mass491.12
IUPAC Name3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESCCOc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1OCC
InChIInChI=1S/C24H26FNO5S2/c1-4-30-20-11-8-17(14-21(20)31-5-2)24(27)26-15-23(22-7-6-12-32-22)33(28,29)18-9-10-19(25)16(3)13-18/h6-14,23H,4-5,15H2,1-3H3,(H,26,27)/t23-/m1/s1
InChIKeyFGUJNOYUXVGFNP-HSZRJFAPSA-N
XLogP4.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 40817881
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 20962840
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 20962872
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 92693452
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268528
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (CID 92693338) is 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is CCOc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is FGUJNOYUXVGFNP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26FNO5S2/c1-4-30-20-11-8-17(14-21(20)31-5-2)24(27)26-15-23(22-7-6-12-32-22)33(28,29)18-9-10-19(25)16(3)13-18/h6-14,23H,4-5,15H2,1-3H3,(H,26,27)/t23-/m1/s1.
What are the key properties of 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 491.61 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 92693338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).