4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

C24H24N4O4S2 — CID 18572535

IUPAC4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12
InChIInChI=1S/C24H24N4O4S2/c1-4-32-20-8-5-9-21-22(20)26-24(33-21)28(16-17-7-6-14-25-15-17)23(29)18-10-12-19(13-11-18)34(30,31)27(2)3/h5-15H,4,16H2,1-3H3
InChIKeyRRPVRTGMJDTLSK-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.19
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 18572535) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID18572535
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12
InChIInChI=1S/C24H24N4O4S2/c1-4-32-20-8-5-9-21-22(20)26-24(33-21)28(16-17-7-6-14-25-15-17)23(29)18-10-12-19(13-11-18)34(30,31)27(2)3/h5-15H,4,16H2,1-3H3
InChIKeyRRPVRTGMJDTLSK-UHFFFAOYSA-N
XLogP4.19
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[bis(2-methylpropyl)sulfamoyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966074
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966073
4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 41364434
N-[3-(dimethylamino)propyl]-4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 18564010
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966488
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 40983450
3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983448
4-[benzyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 18563794
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109734
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide
CID 41318880
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42110514
7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 40889997

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 18572535) is 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RRPVRTGMJDTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-4-32-20-8-5-9-21-22(20)26-24(33-21)28(16-17-7-6-14-25-15-17)23(29)18-10-12-19(13-11-18)34(30,31)27(2)3/h5-15H,4,16H2,1-3H3.
What are the key properties of 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 496.61 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 18572535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).