N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide

C17H24N2O3S — CID 51091605

IUPACN-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O3S/c1-13(2)23-15-6-4-3-5-14(15)17(21)18-8-7-16(20)19-9-11-22-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyYSYCSOCJVKCKBF-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.17
Rot. Bonds6

About N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide

N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 51091605) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide
PubChem CID51091605
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O3S/c1-13(2)23-15-6-4-3-5-14(15)17(21)18-8-7-16(20)19-9-11-22-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyYSYCSOCJVKCKBF-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 103853094
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290
methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate
CID 55883515
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074
2-hydroxy-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115581591
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115597294
N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide
CID 46598471

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide (CID 51091605) is N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is YSYCSOCJVKCKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13(2)23-15-6-4-3-5-14(15)17(21)18-8-7-16(20)19-9-11-22-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide?
N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 51091605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).