2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide

C24H25NO3S — CID 90523286

IUPAC2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C24H25NO3S/c26-23(17-28-21-11-10-19-6-4-5-7-20(19)16-21)25-18-24(12-14-27-15-13-24)29-22-8-2-1-3-9-22/h1-11,16H,12-15,17-18H2,(H,25,26)
InChIKeyPVFZSNINLQMNDQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.68
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide

2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide (PubChem CID 90523286) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
PubChem CID90523286
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C24H25NO3S/c26-23(17-28-21-11-10-19-6-4-5-7-20(19)16-21)25-18-24(12-14-27-15-13-24)29-22-8-2-1-3-9-22/h1-11,16H,12-15,17-18H2,(H,25,26)
InChIKeyPVFZSNINLQMNDQ-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
N-[(4-phenylsulfanyloxan-4-yl)methyl]naphthalene-2-sulfonamide
CID 90523303
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
4,4,4-trifluoro-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604934
2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
CID 60571880
1-(naphthalen-1-ylmethyl)-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717033
N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 90523291
1-cycloheptyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604925
N-[(4-phenylsulfanyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72717046

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide (CID 90523286) is 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide is O=C(COc1ccc2ccccc2c1)NCC1(Sc2ccccc2)CCOCC1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
The InChIKey is PVFZSNINLQMNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c26-23(17-28-21-11-10-19-6-4-5-7-20(19)16-21)25-18-24(12-14-27-15-13-24)29-22-8-2-1-3-9-22/h1-11,16H,12-15,17-18H2,(H,25,26).
What are the key properties of 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide?
2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 90523286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).