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

C27H28N2OS — CID 43990108

IUPACN-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCCc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(C(C)C)cc3)nc12
InChIInChI=1S/C27H28N2OS/c1-4-22-11-8-12-24-26(22)28-27(31-24)29(18-21-9-6-5-7-10-21)25(30)17-20-13-15-23(16-14-20)19(2)3/h5-16,19H,4,17-18H2,1-3H3
InChIKeyRMTXPCMECDNIJC-UHFFFAOYSA-N
MW428.60 g/mol
LogP6.76
Rot. Bonds7

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

N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 43990108) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID43990108
Molecular FormulaC27H28N2OS
Molecular Weight428.60 g/mol
Exact Mass428.19
IUPAC NameN-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCCc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(C(C)C)cc3)nc12
InChIInChI=1S/C27H28N2OS/c1-4-22-11-8-12-24-26(22)28-27(31-24)29(18-21-9-6-5-7-10-21)25(30)17-20-13-15-23(16-14-20)19(2)3/h5-16,19H,4,17-18H2,1-3H3
InChIKeyRMTXPCMECDNIJC-UHFFFAOYSA-N
XLogP6.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990111
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41146462
N-benzyl-2-(4-ethylsulfanylphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 43989984
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
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-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41318848
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939048
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41116032
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838606
N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)acetamide
CID 43990074
N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848554

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide (CID 43990108) is N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide is CCc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(C(C)C)cc3)nc12.
What is the InChIKey of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is RMTXPCMECDNIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OS/c1-4-22-11-8-12-24-26(22)28-27(31-24)29(18-21-9-6-5-7-10-21)25(30)17-20-13-15-23(16-14-20)19(2)3/h5-16,19H,4,17-18H2,1-3H3.
What are the key properties of N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 428.60 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43990108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).