4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide

C16H23NO2S — CID 97306681

IUPAC4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide
SMILESCSc1ccc(C(=O)NCCC[C@@H]2CCCCO2)cc1
InChIInChI=1S/C16H23NO2S/c1-20-15-9-7-13(8-10-15)16(18)17-11-4-6-14-5-2-3-12-19-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyRCDAQHPLLTZUDN-AWEZNQCLSA-N
MW293.43 g/mol
LogP3.49
Rot. Bonds6

About 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide

4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide (PubChem CID 97306681) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide
PubChem CID97306681
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide
SMILESCSc1ccc(C(=O)NCCC[C@@H]2CCCCO2)cc1
InChIInChI=1S/C16H23NO2S/c1-20-15-9-7-13(8-10-15)16(18)17-11-4-6-14-5-2-3-12-19-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyRCDAQHPLLTZUDN-AWEZNQCLSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide 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

4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
N-(5-bromopentyl)-4-methylsulfanylbenzamide
CID 107322033
4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424281
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide (CID 97306681) is 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide is CSc1ccc(C(=O)NCCC[C@@H]2CCCCO2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide?
The InChIKey is RCDAQHPLLTZUDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-20-15-9-7-13(8-10-15)16(18)17-11-4-6-14-5-2-3-12-19-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide?
4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide has a molecular weight of 293.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide is sourced from PubChem (CID 97306681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).