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

C24H31N3O5S — CID 133209920

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H31N3O5S/c1-4-22(32-21-13-11-20(12-14-21)26(2)33(3,30)31)24(29)25-16-18-7-9-19(10-8-18)17-27-15-5-6-23(27)28/h7-14,22H,4-6,15-17H2,1-3H3,(H,25,29)
InChIKeyKAHMABWZIBPTOL-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.68
Rot. Bonds10

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

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 133209920) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID133209920
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H31N3O5S/c1-4-22(32-21-13-11-20(12-14-21)26(2)33(3,30)31)24(29)25-16-18-7-9-19(10-8-18)17-27-15-5-6-23(27)28/h7-14,22H,4-6,15-17H2,1-3H3,(H,25,29)
InChIKeyKAHMABWZIBPTOL-UHFFFAOYSA-N
XLogP2.68
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(pyridin-4-ylmethyl)butanamide
CID 133210687
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133210880
(2S)-N-[(2,5-diethylphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100528695
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452
N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133210421
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100651688
N-(4-ethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160487
N-[3-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133187198
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide
CID 133167568
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133185613
N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133231105
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide (CID 133209920) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide is CCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is KAHMABWZIBPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-4-22(32-21-13-11-20(12-14-21)26(2)33(3,30)31)24(29)25-16-18-7-9-19(10-8-18)17-27-15-5-6-23(27)28/h7-14,22H,4-6,15-17H2,1-3H3,(H,25,29).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 473.60 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 133209920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).