N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

C20H23F3N2O5S — CID 3957853

IUPACN-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O5S/c1-14-7-8-17(30-2)18(11-14)31(28,29)25(13-19(27)24-9-4-10-26)16-6-3-5-15(12-16)20(21,22)23/h3,5-8,11-12,26H,4,9-10,13H2,1-2H3,(H,24,27)
InChIKeyVIZPLSWXQVQNLP-UHFFFAOYSA-N
MW460.47 g/mol
LogP2.72
Rot. Bonds9

About N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 3957853) has the molecular formula C20H23F3N2O5S and a molecular weight of 460.47 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID3957853
Molecular FormulaC20H23F3N2O5S
Molecular Weight460.47 g/mol
Exact Mass460.13
IUPAC NameN-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O5S/c1-14-7-8-17(30-2)18(11-14)31(28,29)25(13-19(27)24-9-4-10-26)16-6-3-5-15(12-16)20(21,22)23/h3,5-8,11-12,26H,4,9-10,13H2,1-2H3,(H,24,27)
InChIKeyVIZPLSWXQVQNLP-UHFFFAOYSA-N
XLogP2.72
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 5006626
N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 4572236
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 30257511
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126390865
N-hexyl-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 127046267
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 2889686
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
N-[3-(4-chlorophenyl)propyl]-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43901074
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100797142
N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide
CID 44530184
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 3957853) is N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is VIZPLSWXQVQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5S/c1-14-7-8-17(30-2)18(11-14)31(28,29)25(13-19(27)24-9-4-10-26)16-6-3-5-15(12-16)20(21,22)23/h3,5-8,11-12,26H,4,9-10,13H2,1-2H3,(H,24,27).
What are the key properties of N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 460.47 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 3957853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).