N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide

C21H23N3O2S — CID 55370141

IUPACN-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCCCCc1ccc2nc(NC(=O)CNC(=O)c3ccccc3C)sc2c1
InChIInChI=1S/C21H23N3O2S/c1-3-4-8-15-10-11-17-18(12-15)27-21(23-17)24-19(25)13-22-20(26)16-9-6-5-7-14(16)2/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyOILUGEHLZZEMRJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.32
Rot. Bonds7

About N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide

N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 55370141) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID55370141
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCCCCc1ccc2nc(NC(=O)CNC(=O)c3ccccc3C)sc2c1
InChIInChI=1S/C21H23N3O2S/c1-3-4-8-15-10-11-17-18(12-15)27-21(23-17)24-19(25)13-22-20(26)16-9-6-5-7-14(16)2/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyOILUGEHLZZEMRJ-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide with MolForge

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Related Compounds

methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 60529886
N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 5166243
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide
CID 5175386
5-bromo-N-(6-butyl-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 4000275
N-(6-butyl-1,3-benzothiazol-2-yl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756121
2-bromo-N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 17244883
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 5175137
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-chlorobenzamide
CID 5188777
2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55334351

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide (CID 55370141) is N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide is CCCCc1ccc2nc(NC(=O)CNC(=O)c3ccccc3C)sc2c1.
What is the InChIKey of N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is OILUGEHLZZEMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-4-8-15-10-11-17-18(12-15)27-21(23-17)24-19(25)13-22-20(26)16-9-6-5-7-14(16)2/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 55370141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).