N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C16H23N3O2S — CID 5307267

IUPACN-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCCCCN(C)CCNC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-3-4-10-18(2)11-9-17-15(20)12-19-13-7-5-6-8-14(13)22-16(19)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyTUKTZWXBTFBWCM-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.91
Rot. Bonds8

About N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 5307267) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID5307267
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCCCCN(C)CCNC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-3-4-10-18(2)11-9-17-15(20)12-19-13-7-5-6-8-14(13)22-16(19)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyTUKTZWXBTFBWCM-UHFFFAOYSA-N
XLogP1.91
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 5307267) is N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is CCCCN(C)CCNC(=O)Cn1c(=O)sc2ccccc21.
What is the InChIKey of N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is TUKTZWXBTFBWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-3-4-10-18(2)11-9-17-15(20)12-19-13-7-5-6-8-14(13)22-16(19)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 5307267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).