N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide

C20H23NO3S — CID 94016602

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C20H23NO3S/c22-20(21-15-18-5-4-12-23-18)16-8-10-17(11-9-16)24-13-14-25-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-15H2,(H,21,22)/t18-/m0/s1
InChIKeyBCZUXXGVIGDHKS-SFHVURJKSA-N
MW357.48 g/mol
LogP3.77
Rot. Bonds8

About N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide

N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 94016602) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID94016602
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C20H23NO3S/c22-20(21-15-18-5-4-12-23-18)16-8-10-17(11-9-16)24-13-14-25-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-15H2,(H,21,22)/t18-/m0/s1
InChIKeyBCZUXXGVIGDHKS-SFHVURJKSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92677205
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 6472346
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide (CID 94016602) is N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is BCZUXXGVIGDHKS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-20(21-15-18-5-4-12-23-18)16-8-10-17(11-9-16)24-13-14-25-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-15H2,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 94016602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).