N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide

C24H25FN2O6S — CID 21007633

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C24H25FN2O6S/c1-15-10-18(7-8-19(15)25)34(29,30)22(16-6-5-9-26-13-16)14-27-24(28)17-11-20(31-2)23(33-4)21(12-17)32-3/h5-13,22H,14H2,1-4H3,(H,27,28)
InChIKeyPRZDTJVLVNTRLI-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.50
Rot. Bonds9

About N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide (PubChem CID 21007633) has the molecular formula C24H25FN2O6S and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide
PubChem CID21007633
Molecular FormulaC24H25FN2O6S
Molecular Weight488.54 g/mol
Exact Mass488.14
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C24H25FN2O6S/c1-15-10-18(7-8-19(15)25)34(29,30)22(16-6-5-9-26-13-16)14-27-24(28)17-11-20(31-2)23(33-4)21(12-17)32-3/h5-13,22H,14H2,1-4H3,(H,27,28)
InChIKeyPRZDTJVLVNTRLI-UHFFFAOYSA-N
XLogP3.50
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861
3-bromo-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007624
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 40903729
4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 20996520
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide (CID 21007633) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is PRZDTJVLVNTRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O6S/c1-15-10-18(7-8-19(15)25)34(29,30)22(16-6-5-9-26-13-16)14-27-24(28)17-11-20(31-2)23(33-4)21(12-17)32-3/h5-13,22H,14H2,1-4H3,(H,27,28).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 488.54 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 21007633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).