N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C19H21F3N2O6S — CID 55577873

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1
InChIInChI=1S/C19H21F3N2O6S/c1-28-15-9-13(10-16(11-15)29-2)12-23-18(25)7-8-24-31(26,27)17-5-3-14(4-6-17)30-19(20,21)22/h3-6,9-11,24H,7-8,12H2,1-2H3,(H,23,25)
InChIKeyIWHRNKNQFBIJLU-UHFFFAOYSA-N
MW462.45 g/mol
LogP2.59
Rot. Bonds10

About N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 55577873) has the molecular formula C19H21F3N2O6S and a molecular weight of 462.45 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID55577873
Molecular FormulaC19H21F3N2O6S
Molecular Weight462.45 g/mol
Exact Mass462.11
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCOc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1
InChIInChI=1S/C19H21F3N2O6S/c1-28-15-9-13(10-16(11-15)29-2)12-23-18(25)7-8-24-31(26,27)17-5-3-14(4-6-17)30-19(20,21)22/h3-6,9-11,24H,7-8,12H2,1-2H3,(H,23,25)
InChIKeyIWHRNKNQFBIJLU-UHFFFAOYSA-N
XLogP2.59
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 32587077
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26560503

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 55577873) is N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is IWHRNKNQFBIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O6S/c1-28-15-9-13(10-16(11-15)29-2)12-23-18(25)7-8-24-31(26,27)17-5-3-14(4-6-17)30-19(20,21)22/h3-6,9-11,24H,7-8,12H2,1-2H3,(H,23,25).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 462.45 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55577873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).