4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

C25H25N3O3S2 — CID 16833533

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)ccc2s1
InChIInChI=1S/C25H25N3O3S2/c1-17(2)28(16-19-7-5-4-6-8-19)33(30,31)22-12-9-20(10-13-22)25(29)27-21-11-14-24-23(15-21)26-18(3)32-24/h4-15,17H,16H2,1-3H3,(H,27,29)
InChIKeyCOTICWUOYKCFGG-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.46
Rot. Bonds7

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (PubChem CID 16833533) has the molecular formula C25H25N3O3S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
PubChem CID16833533
Molecular FormulaC25H25N3O3S2
Molecular Weight479.63 g/mol
Exact Mass479.13
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)ccc2s1
InChIInChI=1S/C25H25N3O3S2/c1-17(2)28(16-19-7-5-4-6-8-19)33(30,31)22-12-9-20(10-13-22)25(29)27-21-11-14-24-23(15-21)26-18(3)32-24/h4-15,17H,16H2,1-3H3,(H,27,29)
InChIKeyCOTICWUOYKCFGG-UHFFFAOYSA-N
XLogP5.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 3518335
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
CID 41235498
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 7153842
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147450
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 43947094
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (CID 16833533) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)ccc2s1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The InChIKey is COTICWUOYKCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2/c1-17(2)28(16-19-7-5-4-6-8-19)33(30,31)22-12-9-20(10-13-22)25(29)27-21-11-14-24-23(15-21)26-18(3)32-24/h4-15,17H,16H2,1-3H3,(H,27,29).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide has a molecular weight of 479.63 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 16833533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).