N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C20H26N2O4S — CID 133228152

IUPACN-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-22(15-17-9-7-6-8-10-17)20(23)16(2)26-19-13-11-18(12-14-19)21(3)27(4,24)25/h6-14,16H,5,15H2,1-4H3
InChIKeyXHDSVQNVIVBHSE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.90
Rot. Bonds8

About N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 133228152) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID133228152
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-22(15-17-9-7-6-8-10-17)20(23)16(2)26-19-13-11-18(12-14-19)21(3)27(4,24)25/h6-14,16H,5,15H2,1-4H3
InChIKeyXHDSVQNVIVBHSE-UHFFFAOYSA-N
XLogP2.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100733604
(2R)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100581501
(2R)-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100742857
N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 1312535
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100754867
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoic acid
CID 95795032
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30257661
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide
CID 125054899
(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133202386

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 133228152) is N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is CCN(Cc1ccccc1)C(=O)C(C)Oc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is XHDSVQNVIVBHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-22(15-17-9-7-6-8-10-17)20(23)16(2)26-19-13-11-18(12-14-19)21(3)27(4,24)25/h6-14,16H,5,15H2,1-4H3.
What are the key properties of N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 133228152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).