2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide

C18H23N3O5S — CID 110407286

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O5S/c1-21(2)14-7-5-13(6-8-14)20-18(22)12-19-27(23,24)17-11-15(25-3)9-10-16(17)26-4/h5-11,19H,12H2,1-4H3,(H,20,22)
InChIKeySTDHSPPUDZBBJT-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.69
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 110407286) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID110407286
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O5S/c1-21(2)14-7-5-13(6-8-14)20-18(22)12-19-27(23,24)17-11-15(25-3)9-10-16(17)26-4/h5-11,19H,12H2,1-4H3,(H,20,22)
InChIKeySTDHSPPUDZBBJT-UHFFFAOYSA-N
XLogP1.69
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 110407309
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370292
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide (CID 110407286) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide is COc1ccc(OC)c(S(=O)(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is STDHSPPUDZBBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-21(2)14-7-5-13(6-8-14)20-18(22)12-19-27(23,24)17-11-15(25-3)9-10-16(17)26-4/h5-11,19H,12H2,1-4H3,(H,20,22).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 110407286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).