N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide

C18H25NO3S — CID 71804867

IUPACN-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide
SMILESCOC1(CNC(=O)C2(c3ccccc3)CCOCC2)CCSC1
InChIInChI=1S/C18H25NO3S/c1-21-17(9-12-23-14-17)13-19-16(20)18(7-10-22-11-8-18)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,20)
InChIKeyXAGJPQZZDBNGTL-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.37
Rot. Bonds5

About N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide

N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide (PubChem CID 71804867) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide
PubChem CID71804867
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide
SMILESCOC1(CNC(=O)C2(c3ccccc3)CCOCC2)CCSC1
InChIInChI=1S/C18H25NO3S/c1-21-17(9-12-23-14-17)13-19-16(20)18(7-10-22-11-8-18)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,20)
InChIKeyXAGJPQZZDBNGTL-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
CID 71804880

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide (CID 71804867) is N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide is COC1(CNC(=O)C2(c3ccccc3)CCOCC2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is XAGJPQZZDBNGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-21-17(9-12-23-14-17)13-19-16(20)18(7-10-22-11-8-18)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,20).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide?
N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 71804867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).