N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

C19H20ClF3N2O4S — CID 100751352

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H20ClF3N2O4S/c1-25(2)30(27,28)14-6-8-17(29-3)12(10-14)4-9-18(26)24-13-5-7-16(20)15(11-13)19(21,22)23/h5-8,10-11H,4,9H2,1-3H3,(H,24,26)
InChIKeyMDFQPVQNNBGQEM-UHFFFAOYSA-N
MW464.89 g/mol
LogP4.19
Rot. Bonds7

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 100751352) has the molecular formula C19H20ClF3N2O4S and a molecular weight of 464.89 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID100751352
Molecular FormulaC19H20ClF3N2O4S
Molecular Weight464.89 g/mol
Exact Mass464.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H20ClF3N2O4S/c1-25(2)30(27,28)14-6-8-17(29-3)12(10-14)4-9-18(26)24-13-5-7-16(20)15(11-13)19(21,22)23/h5-8,10-11H,4,9H2,1-3H3,(H,24,26)
InChIKeyMDFQPVQNNBGQEM-UHFFFAOYSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
CID 100562291
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126009501
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4301032
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 100575909

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 100751352) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is MDFQPVQNNBGQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O4S/c1-25(2)30(27,28)14-6-8-17(29-3)12(10-14)4-9-18(26)24-13-5-7-16(20)15(11-13)19(21,22)23/h5-8,10-11H,4,9H2,1-3H3,(H,24,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 464.89 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 100751352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).