2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C21H28N2O4S — CID 132662307

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-17-7-11-19(12-8-17)23(28(5,25)26)16(4)21(24)22-18-9-13-20(14-10-18)27-15(2)3/h7-16H,6H2,1-5H3,(H,22,24)
InChIKeyVMYSDJZWFCLGKV-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.83
Rot. Bonds8

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

2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 132662307) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID132662307
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-17-7-11-19(12-8-17)23(28(5,25)26)16(4)21(24)22-18-9-13-20(14-10-18)27-15(2)3/h7-16H,6H2,1-5H3,(H,22,24)
InChIKeyVMYSDJZWFCLGKV-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)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

(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 132665744
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 132658835
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
2-(4-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 132656595
(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2207210
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 132662307) is 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is CCc1ccc(N(C(C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is VMYSDJZWFCLGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-17-7-11-19(12-8-17)23(28(5,25)26)16(4)21(24)22-18-9-13-20(14-10-18)27-15(2)3/h7-16H,6H2,1-5H3,(H,22,24).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.83, 8 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)propanamide is sourced from PubChem (CID 132662307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).