3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide

C24H23N3O4S2 — CID 26222119

IUPAC3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCc2cc3ccccc3s2)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C24H23N3O4S2/c1-25-33(29,30)22-13-17(24(28)27-18-7-9-20(31-2)10-8-18)11-19(14-22)26-15-21-12-16-5-3-4-6-23(16)32-21/h3-14,25-26H,15H2,1-2H3,(H,27,28)
InChIKeyLEHUOAKNHCIZOB-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.68
Rot. Bonds8

About 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide

3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide (PubChem CID 26222119) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
PubChem CID26222119
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCc2cc3ccccc3s2)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C24H23N3O4S2/c1-25-33(29,30)22-13-17(24(28)27-18-7-9-20(31-2)10-8-18)11-19(14-22)26-15-21-12-16-5-3-4-6-23(16)32-21/h3-14,25-26H,15H2,1-2H3,(H,27,28)
InChIKeyLEHUOAKNHCIZOB-UHFFFAOYSA-N
XLogP4.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-3-(2-methylpropylamino)-5-(methylsulfamoyl)benzamide
CID 26142268
3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
CID 26225966
N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
CID 26143018
3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 118469725
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
CID 26583048
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-5-[(3-methoxyphenyl)methylamino]benzamide
CID 26137585
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 8699405
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide (CID 26222119) is 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(NCc2cc3ccccc3s2)cc(C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is LEHUOAKNHCIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-25-33(29,30)22-13-17(24(28)27-18-7-9-20(31-2)10-8-18)11-19(14-22)26-15-21-12-16-5-3-4-6-23(16)32-21/h3-14,25-26H,15H2,1-2H3,(H,27,28).
What are the key properties of 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide?
3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 481.60 g/mol, XLogP of 4.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 26222119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).