N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide

C20H26N2O6S — CID 53286923

IUPACN-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCOc1ccc(N(CCCC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O6S/c1-26-17-10-8-16(9-11-17)22(29(4,24)25)13-5-6-20(23)21-15-7-12-18(27-2)19(14-15)28-3/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyAKPAAFXDPCABJI-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.90
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide

N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 53286923) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID53286923
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCOc1ccc(N(CCCC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O6S/c1-26-17-10-8-16(9-11-17)22(29(4,24)25)13-5-6-20(23)21-15-7-12-18(27-2)19(14-15)28-3/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyAKPAAFXDPCABJI-UHFFFAOYSA-N
XLogP2.90
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 53280943
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
methyl 3-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53286925
N-(3,4-dimethoxyphenyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 53286543
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
N-(2,4-dimethylpentan-3-yl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286587
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 53286923) is N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide is COc1ccc(N(CCCC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is AKPAAFXDPCABJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-26-17-10-8-16(9-11-17)22(29(4,24)25)13-5-6-20(23)21-15-7-12-18(27-2)19(14-15)28-3/h7-12,14H,5-6,13H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 422.50 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53286923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).