N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide

C21H28N2O4S — CID 132662384

IUPACN-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(CCCNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O4S/c1-16-8-5-11-19(14-16)23(28(4,25)26)17(2)21(24)22-13-7-10-18-9-6-12-20(15-18)27-3/h5-6,8-9,11-12,14-15,17H,7,10,13H2,1-4H3,(H,22,24)
InChIKeyZIQCMGKDPUOGCR-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.91
Rot. Bonds9

About N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide

N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132662384) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132662384
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(CCCNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O4S/c1-16-8-5-11-19(14-16)23(28(4,25)26)17(2)21(24)22-13-7-10-18-9-6-12-20(15-18)27-3/h5-6,8-9,11-12,14-15,17H,7,10,13H2,1-4H3,(H,22,24)
InChIKeyZIQCMGKDPUOGCR-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132666327
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132674456
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132670161
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53288405
2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132669642
N-[3-(4-fluorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132666868
N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132660625
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
(2R)-2-[(3-methoxyphenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 100518580
N-[(3-methoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132680504
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044091
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide (CID 132662384) is N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide is COc1cccc(CCCNC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is ZIQCMGKDPUOGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16-8-5-11-19(14-16)23(28(4,25)26)17(2)21(24)22-13-7-10-18-9-6-12-20(15-18)27-3/h5-6,8-9,11-12,14-15,17H,7,10,13H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide?
N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 404.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132662384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).