2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide

C23H21F3N2O5S — CID 28548144

IUPAC2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C23H21F3N2O5S/c1-14-7-10-19(33-3)20(11-14)34(30,31)28(15-5-4-6-16(12-15)32-2)13-21(29)27-18-9-8-17(24)22(25)23(18)26/h4-12H,13H2,1-3H3,(H,27,29)
InChIKeyZMMXBEVIRKNVCN-UHFFFAOYSA-N
MW494.49 g/mol
LogP4.26
Rot. Bonds8

About 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28548144) has the molecular formula C23H21F3N2O5S and a molecular weight of 494.49 g/mol. Its IUPAC name is 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28548144
Molecular FormulaC23H21F3N2O5S
Molecular Weight494.49 g/mol
Exact Mass494.11
IUPAC Name2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C23H21F3N2O5S/c1-14-7-10-19(33-3)20(11-14)34(30,31)28(15-5-4-6-16(12-15)32-2)13-21(29)27-18-9-8-17(24)22(25)23(18)26/h4-12H,13H2,1-3H3,(H,27,29)
InChIKeyZMMXBEVIRKNVCN-UHFFFAOYSA-N
XLogP4.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548146
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28547418
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
N-(2,4-dimethoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102420
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422
N-(2,5-dimethylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 5006626
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139283
N-(2,3-dimethylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 5135255
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100797142
2-[(2,5-dimethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32941616
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 94861525

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 28548144) is 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide is COc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ZMMXBEVIRKNVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5S/c1-14-7-10-19(33-3)20(11-14)34(30,31)28(15-5-4-6-16(12-15)32-2)13-21(29)27-18-9-8-17(24)22(25)23(18)26/h4-12H,13H2,1-3H3,(H,27,29).
What are the key properties of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 494.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28548144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).