N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide

C15H22Cl2N2O4S — CID 113068036

IUPACN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(C)(C)N(CCNC(=O)COc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O4S/c1-15(2,3)19(24(4,21)22)8-7-18-14(20)10-23-13-6-5-11(16)9-12(13)17/h5-6,9H,7-8,10H2,1-4H3,(H,18,20)
InChIKeyJTULESRPMIXNNJ-UHFFFAOYSA-N
MW397.32 g/mol
LogP2.55
Rot. Bonds7

About N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 113068036) has the molecular formula C15H22Cl2N2O4S and a molecular weight of 397.32 g/mol. Its IUPAC name is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID113068036
Molecular FormulaC15H22Cl2N2O4S
Molecular Weight397.32 g/mol
Exact Mass396.07
IUPAC NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(C)(C)N(CCNC(=O)COc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O4S/c1-15(2,3)19(24(4,21)22)8-7-18-14(20)10-23-13-6-5-11(16)9-12(13)17/h5-6,9H,7-8,10H2,1-4H3,(H,18,20)
InChIKeyJTULESRPMIXNNJ-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113052412
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(2,4-dichlorophenoxy)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572838
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide (CID 113068036) is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide is CC(C)(C)N(CCNC(=O)COc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is JTULESRPMIXNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O4S/c1-15(2,3)19(24(4,21)22)8-7-18-14(20)10-23-13-6-5-11(16)9-12(13)17/h5-6,9H,7-8,10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 397.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 113068036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).