N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide

C21H29N3O4S — CID 46808821

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccc(OCCN(C)C(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H29N3O4S/c1-16-9-11-19(12-10-16)28-14-13-24(5)17(2)21(25)22-18-7-6-8-20(15-18)29(26,27)23(3)4/h6-12,15,17H,13-14H2,1-5H3,(H,22,25)
InChIKeyRAYLEFOYPWDNPF-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.58
Rot. Bonds9

About N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide (PubChem CID 46808821) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
PubChem CID46808821
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
SMILESCc1ccc(OCCN(C)C(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H29N3O4S/c1-16-9-11-19(12-10-16)28-14-13-24(5)17(2)21(25)22-18-7-6-8-20(15-18)29(26,27)23(3)4/h6-12,15,17H,13-14H2,1-5H3,(H,22,25)
InChIKeyRAYLEFOYPWDNPF-UHFFFAOYSA-N
XLogP2.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
CID 125167326
(2S)-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 26430195
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
(2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 40918682
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
N-[1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55343497
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide (CID 46808821) is N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide is Cc1ccc(OCCN(C)C(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
The InChIKey is RAYLEFOYPWDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-16-9-11-19(12-10-16)28-14-13-24(5)17(2)21(25)22-18-7-6-8-20(15-18)29(26,27)23(3)4/h6-12,15,17H,13-14H2,1-5H3,(H,22,25).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide has a molecular weight of 419.55 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide is sourced from PubChem (CID 46808821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).