N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C18H30N2O4S — CID 55693733

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H30N2O4S/c1-6-25(22,23)20(5)11-7-10-19-18(21)13-24-17-12-16(14(2)3)9-8-15(17)4/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,19,21)
InChIKeyYRBWQEUFNXKCIB-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.29
Rot. Bonds10

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 55693733) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID55693733
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H30N2O4S/c1-6-25(22,23)20(5)11-7-10-19-18(21)13-24-17-12-16(14(2)3)9-8-15(17)4/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,19,21)
InChIKeyYRBWQEUFNXKCIB-UHFFFAOYSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
N-(3-benzylsulfonylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 55663482
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 177377392
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide
CID 56519526

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 55693733) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is CCS(=O)(=O)N(C)CCCNC(=O)COc1cc(C(C)C)ccc1C.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is YRBWQEUFNXKCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-6-25(22,23)20(5)11-7-10-19-18(21)13-24-17-12-16(14(2)3)9-8-15(17)4/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,19,21).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 370.52 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 55693733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).