N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide

C26H26N2O3S2 — CID 41146462

IUPACN-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(S(=O)(=O)CC)cc3)nc12
InChIInChI=1S/C26H26N2O3S2/c1-3-21-11-8-12-23-25(21)27-26(32-23)28(18-20-9-6-5-7-10-20)24(29)17-19-13-15-22(16-14-19)33(30,31)4-2/h5-16H,3-4,17-18H2,1-2H3
InChIKeyUDENVHLGJPNQJH-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.43
Rot. Bonds8

About N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide

N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 41146462) has the molecular formula C26H26N2O3S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID41146462
Molecular FormulaC26H26N2O3S2
Molecular Weight478.64 g/mol
Exact Mass478.14
IUPAC NameN-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(S(=O)(=O)CC)cc3)nc12
InChIInChI=1S/C26H26N2O3S2/c1-3-21-11-8-12-23-25(21)27-26(32-23)28(18-20-9-6-5-7-10-20)24(29)17-19-13-15-22(16-14-19)33(30,31)4-2/h5-16H,3-4,17-18H2,1-2H3
InChIKeyUDENVHLGJPNQJH-UHFFFAOYSA-N
XLogP5.43
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990108
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41146485
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41045691
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 41109691
N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41109701
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838606
N-benzyl-3-(4-chlorophenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 41109651
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41318848
3-(benzenesulfonyl)-N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)propanamide
CID 18581938
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 41109878
4-(benzenesulfonyl)-N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 41273292

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide (CID 41146462) is N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide is CCc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(S(=O)(=O)CC)cc3)nc12.
What is the InChIKey of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is UDENVHLGJPNQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S2/c1-3-21-11-8-12-23-25(21)27-26(32-23)28(18-20-9-6-5-7-10-20)24(29)17-19-13-15-22(16-14-19)33(30,31)4-2/h5-16H,3-4,17-18H2,1-2H3.
What are the key properties of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 41146462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).