2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

C18H18F3N3O4S — CID 92511379

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O4S/c1-24(29(26,27)15-9-7-14(28-2)8-10-15)12-17(25)23-22-11-13-5-3-4-6-16(13)18(19,20)21/h3-11H,12H2,1-2H3,(H,23,25)/b22-11-
InChIKeyCZCODYBDULQADJ-JJFYIABZSA-N
MW429.42 g/mol
LogP2.48
Rot. Bonds7

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 92511379) has the molecular formula C18H18F3N3O4S and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID92511379
Molecular FormulaC18H18F3N3O4S
Molecular Weight429.42 g/mol
Exact Mass429.10
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O4S/c1-24(29(26,27)15-9-7-14(28-2)8-10-15)12-17(25)23-22-11-13-5-3-4-6-16(13)18(19,20)21/h3-11H,12H2,1-2H3,(H,23,25)/b22-11-
InChIKeyCZCODYBDULQADJ-JJFYIABZSA-N
XLogP2.48
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 92511378
2-(4-methoxyphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6258756
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511418
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92511275
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 98082541
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 3964836
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 126191438
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 126190899
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 92511379) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is CZCODYBDULQADJ-JJFYIABZSA-N. The full InChI is InChI=1S/C18H18F3N3O4S/c1-24(29(26,27)15-9-7-14(28-2)8-10-15)12-17(25)23-22-11-13-5-3-4-6-16(13)18(19,20)21/h3-11H,12H2,1-2H3,(H,23,25)/b22-11-.
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 429.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 92511379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).