2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide

C21H24Cl2N2O6S — CID 156545197

IUPAC2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide
SMILESCC(C)(c1ccc(OCC(=O)CNS(C)(=O)=O)cc1)c1cc(Cl)c(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O6S/c1-21(2,14-8-17(22)20(18(23)9-14)31-12-19(24)27)13-4-6-16(7-5-13)30-11-15(26)10-25-32(3,28)29/h4-9,25H,10-12H2,1-3H3,(H2,24,27)
InChIKeyCTULYWMZPCZAGP-UHFFFAOYSA-N
MW503.40 g/mol
LogP2.68
Rot. Bonds11

About 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide

2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide (PubChem CID 156545197) has the molecular formula C21H24Cl2N2O6S and a molecular weight of 503.40 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide
PubChem CID156545197
Molecular FormulaC21H24Cl2N2O6S
Molecular Weight503.40 g/mol
Exact Mass502.07
IUPAC Name2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide
SMILESCC(C)(c1ccc(OCC(=O)CNS(C)(=O)=O)cc1)c1cc(Cl)c(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O6S/c1-21(2,14-8-17(22)20(18(23)9-14)31-12-19(24)27)13-4-6-16(7-5-13)30-11-15(26)10-25-32(3,28)29/h4-9,25H,10-12H2,1-3H3,(H2,24,27)
InChIKeyCTULYWMZPCZAGP-UHFFFAOYSA-N
XLogP2.68
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]anilino]-2-oxopropyl]methanesulfonamide
CID 151308740
1-amino-3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]propan-2-one
CID 161088782
N-[3-[4-[2-[4-(3-chloropropoxy)-3-cyanophenyl]propan-2-yl]phenoxy]-2-oxopropyl]methanesulfonamide
CID 150660340
1-[4-[2-[3,5-dichloro-4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]-3-methylsulfonylpropan-2-one
CID 156534524
1-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-one
CID 158661519
N-[4-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]-4,4-difluoro-3-oxobutyl]methanesulfonamide
CID 151034328
1-[4-[2-[3,5-dichloro-4-(3-chloropropylamino)phenyl]propan-2-yl]phenoxy]-3-(methylsulfanylamino)propan-2-one
CID 153368175
N-[3-[2-cyano-4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-methylanilino]-2-oxopropyl]methanesulfonamide
CID 156545203
2-[4-(2-hydroxypropan-2-yl)phenoxy]acetamide
CID 177146694
3-[4-[2-[3,5-dichloro-4-(2-hydroxybutoxy)phenyl]propan-2-yl]phenoxy]-1,1,1-trifluoropropan-2-one
CID 153368272
N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide
CID 161057461
1-[4-[2-[3,5-dichloro-4-[(2-methyloxiran-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]-3-methylsulfonylpropan-2-ol
CID 156534530

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide (CID 156545197) is 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide is CC(C)(c1ccc(OCC(=O)CNS(C)(=O)=O)cc1)c1cc(Cl)c(OCC(N)=O)c(Cl)c1.
What is the InChIKey of 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide?
The InChIKey is CTULYWMZPCZAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O6S/c1-21(2,14-8-17(22)20(18(23)9-14)31-12-19(24)27)13-4-6-16(7-5-13)30-11-15(26)10-25-32(3,28)29/h4-9,25H,10-12H2,1-3H3,(H2,24,27).
What are the key properties of 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide?
2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide has a molecular weight of 503.40 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-[2-[4-[3-(methanesulfonamido)-2-oxopropoxy]phenyl]propan-2-yl]phenoxy]acetamide is sourced from PubChem (CID 156545197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).