2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide

C16H14F3NO4S — CID 96521984

IUPAC2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C16H14F3NO4S/c1-23-11-5-8-13(14(9-11)24-2)15(21)20-10-3-6-12(7-4-10)25(22)16(17,18)19/h3-9H,1-2H3,(H,20,21)/t25-/m0/s1
InChIKeyMEZCHWXBTMGZER-VWLOTQADSA-N
MW373.35 g/mol
LogP3.58
Rot. Bonds5

About 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide

2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide (PubChem CID 96521984) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide
PubChem CID96521984
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC Name2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C16H14F3NO4S/c1-23-11-5-8-13(14(9-11)24-2)15(21)20-10-3-6-12(7-4-10)25(22)16(17,18)19/h3-9H,1-2H3,(H,20,21)/t25-/m0/s1
InChIKeyMEZCHWXBTMGZER-VWLOTQADSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2-chloro-5-[(2,4-dimethoxybenzoyl)amino]benzamide
CID 46570655
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide
CID 17274760
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide (CID 96521984) is 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide?
The InChIKey is MEZCHWXBTMGZER-VWLOTQADSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c1-23-11-5-8-13(14(9-11)24-2)15(21)20-10-3-6-12(7-4-10)25(22)16(17,18)19/h3-9H,1-2H3,(H,20,21)/t25-/m0/s1.
What are the key properties of 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide?
2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide has a molecular weight of 373.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide is sourced from PubChem (CID 96521984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).