(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C21H25N3O5S — CID 100757502

IUPAC(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-15(29-19-12-10-17(11-13-19)23(2)30(3,27)28)21(26)22-16-6-8-18(9-7-16)24-14-4-5-20(24)25/h6-13,15H,4-5,14H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyLHTUMHPUPHLMNC-OAHLLOKOSA-N
MW431.51 g/mol
LogP2.62
Rot. Bonds7

About (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 100757502) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID100757502
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-15(29-19-12-10-17(11-13-19)23(2)30(3,27)28)21(26)22-16-6-8-18(9-7-16)24-14-4-5-20(24)25/h6-13,15H,4-5,14H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyLHTUMHPUPHLMNC-OAHLLOKOSA-N
XLogP2.62
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide with MolForge

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Related Compounds

(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 100584423
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 43876440
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
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
dimethyl 5-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzene-1,3-dicarboxylate
CID 133186767
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2S)-N-cycloheptyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 9291791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 100757502) is (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is LHTUMHPUPHLMNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15(29-19-12-10-17(11-13-19)23(2)30(3,27)28)21(26)22-16-6-8-18(9-7-16)24-14-4-5-20(24)25/h6-13,15H,4-5,14H2,1-3H3,(H,22,26)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 431.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 100757502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).