N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide

C21H28N2O4S — CID 45371949

IUPACN-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-16-9-8-10-17(6-2)21(16)22-20(24)15-23(7-3)28(25,26)19-13-11-18(27-4)12-14-19/h8-14H,5-7,15H2,1-4H3,(H,22,24)
InChIKeyFIMHUWLPOFIALQ-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.47
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide

N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 45371949) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID45371949
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-16-9-8-10-17(6-2)21(16)22-20(24)15-23(7-3)28(25,26)19-13-11-18(27-4)12-14-19/h8-14H,5-7,15H2,1-4H3,(H,22,24)
InChIKeyFIMHUWLPOFIALQ-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 4615229
N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3510493
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 45371881
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 2985166
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 113166015
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126316549
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799018

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide (CID 45371949) is N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide is CCc1cccc(CC)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is FIMHUWLPOFIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-16-9-8-10-17(6-2)21(16)22-20(24)15-23(7-3)28(25,26)19-13-11-18(27-4)12-14-19/h8-14H,5-7,15H2,1-4H3,(H,22,24).
What are the key properties of N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 45371949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).