2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

C21H28N2O5S — CID 108573136

IUPAC2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCNS(=O)(=O)c2cc(C)c(C)cc2OC)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-28-18-8-6-17(7-9-18)14-21(24)22-10-11-23-29(25,26)20-13-16(3)15(2)12-19(20)27-4/h6-9,12-13,23H,5,10-11,14H2,1-4H3,(H,22,24)
InChIKeyDQGOEVZVBWGPKT-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.35
Rot. Bonds10

About 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 108573136) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID108573136
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCNS(=O)(=O)c2cc(C)c(C)cc2OC)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-28-18-8-6-17(7-9-18)14-21(24)22-10-11-23-29(25,26)20-13-16(3)15(2)12-19(20)27-4/h6-9,12-13,23H,5,10-11,14H2,1-4H3,(H,22,24)
InChIKeyDQGOEVZVBWGPKT-UHFFFAOYSA-N
XLogP2.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003
3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574284
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108573220
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572092
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108574288
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
CID 108573477
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 108573136) is 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is CCOc1ccc(CC(=O)NCCNS(=O)(=O)c2cc(C)c(C)cc2OC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is DQGOEVZVBWGPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-28-18-8-6-17(7-9-18)14-21(24)22-10-11-23-29(25,26)20-13-16(3)15(2)12-19(20)27-4/h6-9,12-13,23H,5,10-11,14H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 108573136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).