benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide

C20H28N2O5S — CID 66921646

IUPACbenzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide
SMILESCCOc1ccc(OCC(C)(NS(C)(=O)=O)C(=O)NC)cc1.c1ccccc1
InChIInChI=1S/C14H22N2O5S.C6H6/c1-5-20-11-6-8-12(9-7-11)21-10-14(2,13(17)15-3)16-22(4,18)19;1-2-4-6-5-3-1/h6-9,16H,5,10H2,1-4H3,(H,15,17);1-6H
InChIKeyMRKJGKTZLMWTBA-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.20
Rot. Bonds8

About benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide

benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide (PubChem CID 66921646) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide.

Molecular Properties

Compound Namebenzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide
PubChem CID66921646
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Namebenzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide
SMILESCCOc1ccc(OCC(C)(NS(C)(=O)=O)C(=O)NC)cc1.c1ccccc1
InChIInChI=1S/C14H22N2O5S.C6H6/c1-5-20-11-6-8-12(9-7-11)21-10-14(2,13(17)15-3)16-22(4,18)19;1-2-4-6-5-3-1/h6-9,16H,5,10H2,1-4H3,(H,15,17);1-6H
InChIKeyMRKJGKTZLMWTBA-UHFFFAOYSA-N
XLogP2.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide
CID 58916978
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20994472
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
CID 62337488
1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
CID 43411658

Frequently Asked Questions

What is the IUPAC name of benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide?
The IUPAC name of benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide (CID 66921646) is benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide.
What is the SMILES notation for benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide?
The canonical SMILES for benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide is CCOc1ccc(OCC(C)(NS(C)(=O)=O)C(=O)NC)cc1.c1ccccc1.
What is the InChIKey of benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide?
The InChIKey is MRKJGKTZLMWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S.C6H6/c1-5-20-11-6-8-12(9-7-11)21-10-14(2,13(17)15-3)16-22(4,18)19;1-2-4-6-5-3-1/h6-9,16H,5,10H2,1-4H3,(H,15,17);1-6H.
What are the key properties of benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide?
benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide has a molecular weight of 408.52 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide is sourced from PubChem (CID 66921646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).