N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide

C18H28N2O5S — CID 100796537

IUPACN-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCC(C)(C)C
InChIInChI=1S/C18H28N2O5S/c1-14-11-15(26(22,23)20-7-9-24-10-8-20)5-6-16(14)25-12-17(21)19-13-18(2,3)4/h5-6,11H,7-10,12-13H2,1-4H3,(H,19,21)
InChIKeyKJLPKUILDPWRHT-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.56
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide

N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 100796537) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID100796537
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCC(C)(C)C
InChIInChI=1S/C18H28N2O5S/c1-14-11-15(26(22,23)20-7-9-24-10-8-20)5-6-16(14)25-12-17(21)19-13-18(2,3)4/h5-6,11H,7-10,12-13H2,1-4H3,(H,19,21)
InChIKeyKJLPKUILDPWRHT-UHFFFAOYSA-N
XLogP1.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7425655
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 6495060
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875105
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28555474
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100796845
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800978
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 100796537) is N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide is Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is KJLPKUILDPWRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-14-11-15(26(22,23)20-7-9-24-10-8-20)5-6-16(14)25-12-17(21)19-13-18(2,3)4/h5-6,11H,7-10,12-13H2,1-4H3,(H,19,21).
What are the key properties of N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 100796537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).