N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C21H28N2O7S — CID 45375557

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H28N2O7S/c1-23(31(25,26)20-13-16(27-2)7-9-18(20)29-4)14-21(24)22-11-10-15-6-8-17(28-3)19(12-15)30-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)
InChIKeyPZFLCQHRVIYBKW-UHFFFAOYSA-N
MW452.53 g/mol
LogP1.70
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 45375557) has the molecular formula C21H28N2O7S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID45375557
Molecular FormulaC21H28N2O7S
Molecular Weight452.53 g/mol
Exact Mass452.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H28N2O7S/c1-23(31(25,26)20-13-16(27-2)7-9-18(20)29-4)14-21(24)22-11-10-15-6-8-17(28-3)19(12-15)30-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)
InChIKeyPZFLCQHRVIYBKW-UHFFFAOYSA-N
XLogP1.70
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 4023832
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889157
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4830299

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 45375557) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is PZFLCQHRVIYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O7S/c1-23(31(25,26)20-13-16(27-2)7-9-18(20)29-4)14-21(24)22-11-10-15-6-8-17(28-3)19(12-15)30-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 452.53 g/mol, XLogP of 1.70, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 45375557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).