N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C21H20F2N2O5S2 — CID 31553898

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1OC(F)F
InChIInChI=1S/C21H20F2N2O5S2/c1-29-19-10-14(7-8-18(19)30-21(22)23)12-24-20(26)15-4-2-6-17(11-15)32(27,28)25-13-16-5-3-9-31-16/h2-11,21,25H,12-13H2,1H3,(H,24,26)
InChIKeyJITKJCHVZPGWLO-UHFFFAOYSA-N
MW482.53 g/mol
LogP3.77
Rot. Bonds10

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 31553898) has the molecular formula C21H20F2N2O5S2 and a molecular weight of 482.53 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID31553898
Molecular FormulaC21H20F2N2O5S2
Molecular Weight482.53 g/mol
Exact Mass482.08
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1OC(F)F
InChIInChI=1S/C21H20F2N2O5S2/c1-29-19-10-14(7-8-18(19)30-21(22)23)12-24-20(26)15-4-2-6-17(11-15)32(27,28)25-13-16-5-3-9-31-16/h2-11,21,25H,12-13H2,1H3,(H,24,26)
InChIKeyJITKJCHVZPGWLO-UHFFFAOYSA-N
XLogP3.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31327536
3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide
CID 55777909
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55843814
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 31553898) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is COc1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is JITKJCHVZPGWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O5S2/c1-29-19-10-14(7-8-18(19)30-21(22)23)12-24-20(26)15-4-2-6-17(11-15)32(27,28)25-13-16-5-3-9-31-16/h2-11,21,25H,12-13H2,1H3,(H,24,26).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 482.53 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 31553898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).