N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C22H30N2O4S — CID 133202204

IUPACN-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O4S/c1-6-17-8-9-18(7-2)19(14-17)15-23-22(25)16(3)24(29(5,26)27)20-10-12-21(28-4)13-11-20/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyHQIVEXNJHZHQLN-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.29
Rot. Bonds9

About N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 133202204) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID133202204
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O4S/c1-6-17-8-9-18(7-2)19(14-17)15-23-22(25)16(3)24(29(5,26)27)20-10-12-21(28-4)13-11-20/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyHQIVEXNJHZHQLN-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133200028
N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 133202321
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 133265286
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 51422980
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92677455
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 132665744

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 133202204) is N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is CCc1ccc(CC)c(CNC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is HQIVEXNJHZHQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-17-8-9-18(7-2)19(14-17)15-23-22(25)16(3)24(29(5,26)27)20-10-12-21(28-4)13-11-20/h8-14,16H,6-7,15H2,1-5H3,(H,23,25).
What are the key properties of N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133202204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).