N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide

C15H21N3O2S — CID 114626484

IUPACN-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CSC1CCNCC1
InChIInChI=1S/C15H21N3O2S/c1-16-15(20)12-4-2-3-5-13(12)18-14(19)10-21-11-6-8-17-9-7-11/h2-5,11,17H,6-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyUVAGLJVGJYOEKX-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.47
Rot. Bonds5

About N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide

N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide (PubChem CID 114626484) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
PubChem CID114626484
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CSC1CCNCC1
InChIInChI=1S/C15H21N3O2S/c1-16-15(20)12-4-2-3-5-13(12)18-14(19)10-21-11-6-8-17-9-7-11/h2-5,11,17H,6-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyUVAGLJVGJYOEKX-UHFFFAOYSA-N
XLogP1.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzoate
CID 114626637
N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626715
N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626808
N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626532
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
CID 114628128
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(4-hydroxy-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626685

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide (CID 114626484) is N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide is CNC(=O)c1ccccc1NC(=O)CSC1CCNCC1.
What is the InChIKey of N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide?
The InChIKey is UVAGLJVGJYOEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-16-15(20)12-4-2-3-5-13(12)18-14(19)10-21-11-6-8-17-9-7-11/h2-5,11,17H,6-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide?
N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide has a molecular weight of 307.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 114626484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).