N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide

C25H25N3O4S2 — CID 16597575

IUPACN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)sc2c1
InChIInChI=1S/C25H25N3O4S2/c1-17(2)27-34(30,31)21-12-9-19(10-13-21)24(29)28(16-18-7-5-4-6-8-18)25-26-22-14-11-20(32-3)15-23(22)33-25/h4-15,17,27H,16H2,1-3H3
InChIKeyMBYLZDVCGIECRT-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.84
Rot. Bonds8

About N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16597575) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID16597575
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)sc2c1
InChIInChI=1S/C25H25N3O4S2/c1-17(2)27-34(30,31)21-12-9-19(10-13-21)24(29)28(16-18-7-5-4-6-8-18)25-26-22-14-11-20(32-3)15-23(22)33-25/h4-15,17,27H,16H2,1-3H3
InChIKeyMBYLZDVCGIECRT-UHFFFAOYSA-N
XLogP4.84
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198
N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 18581952
4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965845
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 134016037
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592799
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41110024
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41110232
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16600618
N-benzyl-4-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110277
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide (CID 16597575) is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide is COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)sc2c1.
What is the InChIKey of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is MBYLZDVCGIECRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-17(2)27-34(30,31)21-12-9-19(10-13-21)24(29)28(16-18-7-5-4-6-8-18)25-26-22-14-11-20(32-3)15-23(22)33-25/h4-15,17,27H,16H2,1-3H3.
What are the key properties of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide?
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 495.63 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16597575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).