2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C22H30N2O4S — CID 132665744

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCCc1ccc(N(C(C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-18-7-11-20(12-8-18)24(29(5,26)27)17(4)22(25)23-15-19-9-13-21(14-10-19)28-16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)
InChIKeyOHCFFVKGCJKXHD-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.51
Rot. Bonds9

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 132665744) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID132665744
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCCc1ccc(N(C(C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-18-7-11-20(12-8-18)24(29(5,26)27)17(4)22(25)23-15-19-9-13-21(14-10-19)28-16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)
InChIKeyOHCFFVKGCJKXHD-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 132662307
2-(4-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43909120
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133202204
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
N-[[4-(diethylamino)phenyl]methyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133187050
(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-[(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 132665744) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is CCc1ccc(N(C(C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is OHCFFVKGCJKXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-18-7-11-20(12-8-18)24(29(5,26)27)17(4)22(25)23-15-19-9-13-21(14-10-19)28-16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 132665744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).