N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C19H22F2N2O6S — CID 46420991

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O6S/c1-23(2)30(25,26)17-10-13(6-8-15(17)27-3)18(24)22-11-12-5-7-14(29-19(20)21)16(9-12)28-4/h5-10,19H,11H2,1-4H3,(H,22,24)
InChIKeyCQPMCCIMWZXCBR-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.49
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 46420991) has the molecular formula C19H22F2N2O6S and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID46420991
Molecular FormulaC19H22F2N2O6S
Molecular Weight444.46 g/mol
Exact Mass444.12
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O6S/c1-23(2)30(25,26)17-10-13(6-8-15(17)27-3)18(24)22-11-12-5-7-14(29-19(20)21)16(9-12)28-4/h5-10,19H,11H2,1-4H3,(H,22,24)
InChIKeyCQPMCCIMWZXCBR-UHFFFAOYSA-N
XLogP2.49
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
CID 42119354
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 48542375
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 17424349

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 46420991) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is CQPMCCIMWZXCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O6S/c1-23(2)30(25,26)17-10-13(6-8-15(17)27-3)18(24)22-11-12-5-7-14(29-19(20)21)16(9-12)28-4/h5-10,19H,11H2,1-4H3,(H,22,24).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 444.46 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 46420991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).