N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C19H18F6N2O5S — CID 100796945

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F6N2O5S/c1-27(33(29,30)16-9-14(31-2)4-5-15(16)32-3)10-17(28)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h4-9H,10H2,1-3H3,(H,26,28)
InChIKeyVLBFLRMIMHTIGY-UHFFFAOYSA-N
MW500.42 g/mol
LogP4.00
Rot. Bonds7

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 100796945) has the molecular formula C19H18F6N2O5S and a molecular weight of 500.42 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID100796945
Molecular FormulaC19H18F6N2O5S
Molecular Weight500.42 g/mol
Exact Mass500.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F6N2O5S/c1-27(33(29,30)16-9-14(31-2)4-5-15(16)32-3)10-17(28)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h4-9H,10H2,1-3H3,(H,26,28)
InChIKeyVLBFLRMIMHTIGY-UHFFFAOYSA-N
XLogP4.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
ethyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45371787
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 2219300
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168410
N-(4-ethoxyphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2989117

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 100796945) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is VLBFLRMIMHTIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O5S/c1-27(33(29,30)16-9-14(31-2)4-5-15(16)32-3)10-17(28)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h4-9H,10H2,1-3H3,(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 500.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100796945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).