1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide

C19H23NO3S2 — CID 90604724

IUPAC1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO3S2/c21-25(22,15-17-7-3-1-4-8-17)20-16-19(11-13-23-14-12-19)24-18-9-5-2-6-10-18/h1-10,20H,11-16H2
InChIKeyGNBFMLCTISOJSA-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.45
Rot. Bonds7

About 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide

1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide (PubChem CID 90604724) has the molecular formula C19H23NO3S2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide
PubChem CID90604724
Molecular FormulaC19H23NO3S2
Molecular Weight377.53 g/mol
Exact Mass377.11
IUPAC Name1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C19H23NO3S2/c21-25(22,15-17-7-3-1-4-8-17)20-16-19(11-13-23-14-12-19)24-18-9-5-2-6-10-18/h1-10,20H,11-16H2
InChIKeyGNBFMLCTISOJSA-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide (CID 90604724) is 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCC1(Sc2ccccc2)CCOCC1.
What is the InChIKey of 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide?
The InChIKey is GNBFMLCTISOJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S2/c21-25(22,15-17-7-3-1-4-8-17)20-16-19(11-13-23-14-12-19)24-18-9-5-2-6-10-18/h1-10,20H,11-16H2.
What are the key properties of 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide?
1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide has a molecular weight of 377.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 90604724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).