N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide

C20H26N2O4S — CID 113058068

IUPACN-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-6-8-20(9-7-19)27(24,25)21-10-11-22(17(4)23)18-13-15(2)12-16(3)14-18/h6-9,12-14,21H,5,10-11H2,1-4H3
InChIKeyKKKJEGIZNWNKBL-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.03
Rot. Bonds8

About N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide

N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113058068) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113058068
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-6-8-20(9-7-19)27(24,25)21-10-11-22(17(4)23)18-13-15(2)12-16(3)14-18/h6-9,12-14,21H,5,10-11H2,1-4H3
InChIKeyKKKJEGIZNWNKBL-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113057963
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-(2,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061279
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
N-(3,5-dimethylphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058066
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060708

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide (CID 113058068) is N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide is CCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is KKKJEGIZNWNKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-26-19-6-8-20(9-7-19)27(24,25)21-10-11-22(17(4)23)18-13-15(2)12-16(3)14-18/h6-9,12-14,21H,5,10-11H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113058068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).