N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

C24H32F2N2O5S — CID 55653319

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC(F)F
InChIInChI=1S/C24H32F2N2O5S/c1-14-15(2)17(4)23(18(5)16(14)3)34(30,31)27-11-10-22(29)28(6)13-19-8-9-20(32-7)21(12-19)33-24(25)26/h8-9,12,24,27H,10-11,13H2,1-7H3
InChIKeyBIMHLSQIEIGEEB-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.17
Rot. Bonds10

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (PubChem CID 55653319) has the molecular formula C24H32F2N2O5S and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
PubChem CID55653319
Molecular FormulaC24H32F2N2O5S
Molecular Weight498.59 g/mol
Exact Mass498.20
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC(F)F
InChIInChI=1S/C24H32F2N2O5S/c1-14-15(2)17(4)23(18(5)16(14)3)34(30,31)27-11-10-22(29)28(6)13-19-8-9-20(32-7)21(12-19)33-24(25)26/h8-9,12,24,27H,10-11,13H2,1-7H3
InChIKeyBIMHLSQIEIGEEB-UHFFFAOYSA-N
XLogP4.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55347838
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56550038
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55656360
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 31327075
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56550163
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 55930131
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 55611938
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide (CID 55653319) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is COc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
The InChIKey is BIMHLSQIEIGEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N2O5S/c1-14-15(2)17(4)23(18(5)16(14)3)34(30,31)27-11-10-22(29)28(6)13-19-8-9-20(32-7)21(12-19)33-24(25)26/h8-9,12,24,27H,10-11,13H2,1-7H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide has a molecular weight of 498.59 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55653319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).