N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

C22H30N2O5S — CID 30242457

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-5-17-8-11-19(12-9-17)24(30(4,26)27)16-22(25)23-14-6-7-18-10-13-20(28-2)21(15-18)29-3/h8-13,15H,5-7,14,16H2,1-4H3,(H,23,25)
InChIKeyBKFLBRGRBKAREJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.78
Rot. Bonds11

About N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30242457) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID30242457
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-5-17-8-11-19(12-9-17)24(30(4,26)27)16-22(25)23-14-6-7-18-10-13-20(28-2)21(15-18)29-3/h8-13,15H,5-7,14,16H2,1-4H3,(H,23,25)
InChIKeyBKFLBRGRBKAREJ-UHFFFAOYSA-N
XLogP2.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43908101
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 2899601
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30205747
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43892388
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227497
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30214103
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 43898830

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 30242457) is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccc(N(CC(=O)NCCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is BKFLBRGRBKAREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-5-17-8-11-19(12-9-17)24(30(4,26)27)16-22(25)23-14-6-7-18-10-13-20(28-2)21(15-18)29-3/h8-13,15H,5-7,14,16H2,1-4H3,(H,23,25).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 434.56 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30242457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).