2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide

C19H19Cl2NO2S — CID 72716994

IUPAC2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(Sc2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO2S/c20-14-6-7-17(21)16(12-14)18(23)22-13-19(8-10-24-11-9-19)25-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyACVMLDVYBWOHPN-UHFFFAOYSA-N
MW396.34 g/mol
LogP5.06
Rot. Bonds5

About 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide

2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide (PubChem CID 72716994) has the molecular formula C19H19Cl2NO2S and a molecular weight of 396.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
PubChem CID72716994
Molecular FormulaC19H19Cl2NO2S
Molecular Weight396.34 g/mol
Exact Mass395.05
IUPAC Name2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(Sc2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO2S/c20-14-6-7-17(21)16(12-14)18(23)22-13-19(8-10-24-11-9-19)25-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyACVMLDVYBWOHPN-UHFFFAOYSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 90523291
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
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
2-ethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604592
1-benzhydryl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717034
3-(2-chlorophenyl)-5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72717000
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide (CID 72716994) is 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide is O=C(NCC1(Sc2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
The InChIKey is ACVMLDVYBWOHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2S/c20-14-6-7-17(21)16(12-14)18(23)22-13-19(8-10-24-11-9-19)25-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23).
What are the key properties of 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide?
2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide has a molecular weight of 396.34 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 72716994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).