N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide

C14H22N2O4S — CID 113141879

IUPACN-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCOCCNC(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-4-6-13(7-5-12)16(21(3,18)19)10-8-14(17)15-9-11-20-2/h4-7H,8-11H2,1-3H3,(H,15,17)
InChIKeyIUDUZIUXKWIDJT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.91
Rot. Bonds8

About N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide

N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141879) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141879
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCOCCNC(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-4-6-13(7-5-12)16(21(3,18)19)10-8-14(17)15-9-11-20-2/h4-7H,8-11H2,1-3H3,(H,15,17)
InChIKeyIUDUZIUXKWIDJT-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.91
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

3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 53288183
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143055
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide
CID 113145839
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyethyl)acetamide
CID 30257475
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide (CID 113141879) is N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide is COCCNC(=O)CCN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is IUDUZIUXKWIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12-4-6-13(7-5-12)16(21(3,18)19)10-8-14(17)15-9-11-20-2/h4-7H,8-11H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).