N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide

C25H27FN2O5S — CID 55944871

IUPACN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)ccc1OC(C)C
InChIInChI=1S/C25H27FN2O5S/c1-17(2)33-23-11-10-20(14-24(23)32-3)25(29)27-15-19-7-5-9-22(13-19)34(30,31)28-16-18-6-4-8-21(26)12-18/h4-14,17,28H,15-16H2,1-3H3,(H,27,29)
InChIKeyPPMSHGYHMDNRAP-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.03
Rot. Bonds10

About N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide

N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 55944871) has the molecular formula C25H27FN2O5S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID55944871
Molecular FormulaC25H27FN2O5S
Molecular Weight486.57 g/mol
Exact Mass486.16
IUPAC NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)ccc1OC(C)C
InChIInChI=1S/C25H27FN2O5S/c1-17(2)33-23-11-10-20(14-24(23)32-3)25(29)27-15-19-7-5-9-22(13-19)34(30,31)28-16-18-6-4-8-21(26)12-18/h4-14,17,28H,15-16H2,1-3H3,(H,27,29)
InChIKeyPPMSHGYHMDNRAP-UHFFFAOYSA-N
XLogP4.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16666176
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31553898
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide (CID 55944871) is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)ccc1OC(C)C.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is PPMSHGYHMDNRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O5S/c1-17(2)33-23-11-10-20(14-24(23)32-3)25(29)27-15-19-7-5-9-22(13-19)34(30,31)28-16-18-6-4-8-21(26)12-18/h4-14,17,28H,15-16H2,1-3H3,(H,27,29).
What are the key properties of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide?
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 486.57 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 55944871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).