4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide

C15H22N2O2S — CID 60945101

IUPAC4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(N)c(C)c1)C1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-11-9-12(3-4-14(11)16)15(18)17(6-7-19-2)13-5-8-20-10-13/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyPRXZLYMXOCGMKS-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.17
Rot. Bonds5

About 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide

4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide (PubChem CID 60945101) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
PubChem CID60945101
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(N)c(C)c1)C1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-11-9-12(3-4-14(11)16)15(18)17(6-7-19-2)13-5-8-20-10-13/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyPRXZLYMXOCGMKS-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
CID 79930252
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103883157
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
2-bromo-6-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 114559503
4-amino-N-cyclopropyl-N-(2-methoxyethyl)-3-nitrobenzamide
CID 60812227
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103988564
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 60955201

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide (CID 60945101) is 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1ccc(N)c(C)c1)C1CCSC1.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide?
The InChIKey is PRXZLYMXOCGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-9-12(3-4-14(11)16)15(18)17(6-7-19-2)13-5-8-20-10-13/h3-4,9,13H,5-8,10,16H2,1-2H3.
What are the key properties of 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide?
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide has a molecular weight of 294.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 60945101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).