(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C23H22N2O5S — CID 100553732

IUPAC(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H22N2O5S/c1-15(29-18-11-9-17(10-12-18)25(2)31(3,27)28)23(26)24-16-8-13-20-19-6-4-5-7-21(19)30-22(20)14-16/h4-15H,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyICMICQGAHRBFQN-OAHLLOKOSA-N
MW438.51 g/mol
LogP4.39
Rot. Bonds6

About (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 100553732) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID100553732
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H22N2O5S/c1-15(29-18-11-9-17(10-12-18)25(2)31(3,27)28)23(26)24-16-8-13-20-19-6-4-5-7-21(19)30-22(20)14-16/h4-15H,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyICMICQGAHRBFQN-OAHLLOKOSA-N
XLogP4.39
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133234650
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
N-dibenzofuran-3-yl-2-(3,4-dimethylphenoxy)propanamide
CID 133211026
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
N-dibenzofuran-3-yl-2-(3-methoxyphenoxy)propanamide
CID 133239850
N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133160582
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133185447

Frequently Asked Questions

What is the IUPAC name of (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 100553732) is (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is ICMICQGAHRBFQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-15(29-18-11-9-17(10-12-18)25(2)31(3,27)28)23(26)24-16-8-13-20-19-6-4-5-7-21(19)30-22(20)14-16/h4-15H,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 438.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 100553732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).