N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide

C29H31Cl2NO5S — CID 159447167

IUPACN-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide
SMILESCCN(C(=O)C(C)(C)Oc1ccc(CC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C29H31Cl2NO5S/c1-5-32(27-16-11-22(30)19-26(27)31)28(34)29(3,4)37-24-12-7-20(8-13-24)17-23(33)18-21-9-14-25(15-10-21)38(35,36)6-2/h7-16,19H,5-6,17-18H2,1-4H3
InChIKeyLSXBAZCVPBCITO-UHFFFAOYSA-N
MW576.54 g/mol
LogP6.35
Rot. Bonds11

About N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide

N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide (PubChem CID 159447167) has the molecular formula C29H31Cl2NO5S and a molecular weight of 576.54 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide
PubChem CID159447167
Molecular FormulaC29H31Cl2NO5S
Molecular Weight576.54 g/mol
Exact Mass575.13
IUPAC NameN-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide
SMILESCCN(C(=O)C(C)(C)Oc1ccc(CC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C29H31Cl2NO5S/c1-5-32(27-16-11-22(30)19-26(27)31)28(34)29(3,4)37-24-12-7-20(8-13-24)17-23(33)18-21-9-14-25(15-10-21)38(35,36)6-2/h7-16,19H,5-6,17-18H2,1-4H3
InChIKeyLSXBAZCVPBCITO-UHFFFAOYSA-N
XLogP6.35
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.54
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide with MolForge

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Related Compounds

1-[4-[3-(4-chloro-3-fluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 159877137
N-[2-chloro-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-N-ethyl-2,2-dimethylpropanamide
CID 123163392
1-[4-[1-(4-chloro-2-fluorophenyl)cyclopropyl]oxyphenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 161385146
1-[4-[3-(4-chloro-2,6-difluorophenoxy)-3-methylbut-1-ynyl]phenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 158490983
N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide
CID 123843144
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138
2-amino-N-(2,4-dichlorophenyl)-N-ethylacetamide
CID 28794920
1-[4-[1-(4-chloro-3-fluorophenyl)cyclohexyl]oxyphenyl]-3-(4-ethylsulfonylphenyl)propan-2-one
CID 148846135
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(4-ethylsulfonylphenyl)-3-[4-[1-(5-fluoro-2-methylindol-1-yl)-2-methylpropan-2-yl]oxyphenyl]propan-2-one
CID 159316462
2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953
2-(4-chlorophenoxy)-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 43573477

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide (CID 159447167) is N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide is CCN(C(=O)C(C)(C)Oc1ccc(CC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide?
The InChIKey is LSXBAZCVPBCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2NO5S/c1-5-32(27-16-11-22(30)19-26(27)31)28(34)29(3,4)37-24-12-7-20(8-13-24)17-23(33)18-21-9-14-25(15-10-21)38(35,36)6-2/h7-16,19H,5-6,17-18H2,1-4H3.
What are the key properties of N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide?
N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide has a molecular weight of 576.54 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N-ethyl-2-[4-[3-(4-ethylsulfonylphenyl)-2-oxopropyl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 159447167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).