3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide

C25H28FN3O4S — CID 26137585

IUPAC3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide
SMILESCOc1cccc(CNc2cc(C(=O)Nc3cccc(F)c3)cc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C25H28FN3O4S/c1-25(2,3)29-34(31,32)23-13-18(24(30)28-20-9-6-8-19(26)14-20)12-21(15-23)27-16-17-7-5-10-22(11-17)33-4/h5-15,27,29H,16H2,1-4H3,(H,28,30)
InChIKeyFLUHQWKOGLXCBD-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.78
Rot. Bonds8

About 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide

3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide (PubChem CID 26137585) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide
PubChem CID26137585
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC Name3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide
SMILESCOc1cccc(CNc2cc(C(=O)Nc3cccc(F)c3)cc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C25H28FN3O4S/c1-25(2,3)29-34(31,32)23-13-18(24(30)28-20-9-6-8-19(26)14-20)12-21(15-23)27-16-17-7-5-10-22(11-17)33-4/h5-15,27,29H,16H2,1-4H3,(H,28,30)
InChIKeyFLUHQWKOGLXCBD-UHFFFAOYSA-N
XLogP4.78
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
N-[(3-methoxyphenyl)methyl]-3-methylsulfonylaniline
CID 60699405
2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
CID 26579182
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide (CID 26137585) is 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide is COc1cccc(CNc2cc(C(=O)Nc3cccc(F)c3)cc(S(=O)(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide?
The InChIKey is FLUHQWKOGLXCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-25(2,3)29-34(31,32)23-13-18(24(30)28-20-9-6-8-19(26)14-20)12-21(15-23)27-16-17-7-5-10-22(11-17)33-4/h5-15,27,29H,16H2,1-4H3,(H,28,30).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide?
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide has a molecular weight of 485.58 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 26137585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).