N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

C19H22F3N3O3S — CID 91645307

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C19H22F3N3O3S/c1-13(10-14-4-2-5-15(11-14)19(20,21)22)18(26)25-16-6-3-7-17(12-16)29(27,28)24-9-8-23/h2-7,11-13,24H,8-10,23H2,1H3,(H,25,26)
InChIKeyCXYNONVFACWLAY-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.76
Rot. Bonds8

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 91645307) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID91645307
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C19H22F3N3O3S/c1-13(10-14-4-2-5-15(11-14)19(20,21)22)18(26)25-16-6-3-7-17(12-16)29(27,28)24-9-8-23/h2-7,11-13,24H,8-10,23H2,1H3,(H,25,26)
InChIKeyCXYNONVFACWLAY-UHFFFAOYSA-N
XLogP2.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
CID 119465681
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 119465897
(1-anilino-1-oxopropan-2-yl) 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42969305
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 91645307) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is CC(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CXYNONVFACWLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-13(10-14-4-2-5-15(11-14)19(20,21)22)18(26)25-16-6-3-7-17(12-16)29(27,28)24-9-8-23/h2-7,11-13,24H,8-10,23H2,1H3,(H,25,26).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 429.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 91645307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).