N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide

C20H28N2O4S2 — CID 16731393

IUPACN-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide
SMILESC[C@H](CNS(C)(=O)=O)c1ccc(-c2ccc([C@@H](C)CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16+
InChIKeyZESUARCHWPARIF-IYBDPMFKSA-N
MW424.59 g/mol
LogP2.66
Rot. Bonds9

About N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide

N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide (PubChem CID 16731393) has the molecular formula C20H28N2O4S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide
PubChem CID16731393
Molecular FormulaC20H28N2O4S2
Molecular Weight424.59 g/mol
Exact Mass424.15
IUPAC NameN-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide
SMILESC[C@H](CNS(C)(=O)=O)c1ccc(-c2ccc([C@@H](C)CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16+
InChIKeyZESUARCHWPARIF-IYBDPMFKSA-N
XLogP2.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide (CID 16731393) is N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide is C[C@H](CNS(C)(=O)=O)c1ccc(-c2ccc([C@@H](C)CNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide?
The InChIKey is ZESUARCHWPARIF-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16+.
What are the key properties of N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide?
N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide has a molecular weight of 424.59 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide is sourced from PubChem (CID 16731393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).