N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C23H23N3O4S2 — CID 46455718

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C23H23N3O4S2/c1-14-11-16(12-21(15(14)2)32(28,29)26(3)4)22(27)24-13-17-9-10-19(30-17)23-25-18-7-5-6-8-20(18)31-23/h5-12H,13H2,1-4H3,(H,24,27)
InChIKeyXMCWQFVYYLPFFZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.35
Rot. Bonds6

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 46455718) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID46455718
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C23H23N3O4S2/c1-14-11-16(12-21(15(14)2)32(28,29)26(3)4)22(27)24-13-17-9-10-19(30-17)23-25-18-7-5-6-8-20(18)31-23/h5-12H,13H2,1-4H3,(H,24,27)
InChIKeyXMCWQFVYYLPFFZ-UHFFFAOYSA-N
XLogP4.35
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide with MolForge

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55489899
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide
CID 55490227
N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 51191763
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55489731
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide
CID 24597383
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
CID 24586252
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine
CID 110965982
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 46455718) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is XMCWQFVYYLPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-14-11-16(12-21(15(14)2)32(28,29)26(3)4)22(27)24-13-17-9-10-19(30-17)23-25-18-7-5-6-8-20(18)31-23/h5-12H,13H2,1-4H3,(H,24,27).
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 469.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 46455718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).