2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide

C25H25NO3S — CID 90523291

IUPAC2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(Sc2ccccc2)CCOCC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C25H25NO3S/c27-24(22-13-7-8-14-23(22)29-20-9-3-1-4-10-20)26-19-25(15-17-28-18-16-25)30-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,26,27)
InChIKeyIBZDPAMGKKAFEX-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.55
Rot. Bonds7

About 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide

2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide (PubChem CID 90523291) has the molecular formula C25H25NO3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
PubChem CID90523291
Molecular FormulaC25H25NO3S
Molecular Weight419.55 g/mol
Exact Mass419.16
IUPAC Name2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(Sc2ccccc2)CCOCC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C25H25NO3S/c27-24(22-13-7-8-14-23(22)29-20-9-3-1-4-10-20)26-19-25(15-17-28-18-16-25)30-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,26,27)
InChIKeyIBZDPAMGKKAFEX-UHFFFAOYSA-N
XLogP5.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994
5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72719907
3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 90604624
2-ethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604592
N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
4-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxane-4-carboxamide
CID 90604708
N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604824
1-cyclopropyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604890
1-benzhydryl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717034
4,4,4-trifluoro-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604934
2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
CID 90523286

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide (CID 90523291) is 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide is O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
The InChIKey is IBZDPAMGKKAFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3S/c27-24(22-13-7-8-14-23(22)29-20-9-3-1-4-10-20)26-19-25(15-17-28-18-16-25)30-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,26,27).
What are the key properties of 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide has a molecular weight of 419.55 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 90523291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).