2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

C17H17F3N2O4S — CID 28546744

IUPAC2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C17H17F3N2O4S/c1-10-8-11(4-7-14(10)26-3)27(24,25)22(2)9-15(23)21-13-6-5-12(18)16(19)17(13)20/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyVGMIIFYAERYPKR-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.68
Rot. Bonds6

About 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28546744) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28546744
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C17H17F3N2O4S/c1-10-8-11(4-7-14(10)26-3)27(24,25)22(2)9-15(23)21-13-6-5-12(18)16(19)17(13)20/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyVGMIIFYAERYPKR-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546084
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92512476
N-[(E)-(4-fluorophenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92908846
ethyl 4-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzoate
CID 100747006
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 28549239

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 28546744) is 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is VGMIIFYAERYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-10-8-11(4-7-14(10)26-3)27(24,25)22(2)9-15(23)21-13-6-5-12(18)16(19)17(13)20/h4-8H,9H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 402.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28546744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).