4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide

C14H22N2O3S — CID 119327284

IUPAC4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
SMILESCOCCS(=O)Cc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C14H22N2O3S/c1-19-8-9-20(18)11-12-4-2-5-13(10-12)16-14(17)6-3-7-15/h2,4-5,10H,3,6-9,11,15H2,1H3,(H,16,17)
InChIKeyBLIXXMWANPRILC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.26
Rot. Bonds9

About 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide

4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide (PubChem CID 119327284) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
PubChem CID119327284
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
SMILESCOCCS(=O)Cc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C14H22N2O3S/c1-19-8-9-20(18)11-12-4-2-5-13(10-12)16-14(17)6-3-7-15/h2,4-5,10H,3,6-9,11,15H2,1H3,(H,16,17)
InChIKeyBLIXXMWANPRILC-UHFFFAOYSA-N
XLogP1.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
CID 119790069
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]pentanamide
CID 95628832
N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide
CID 95628833
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
CID 119324076
N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119790066
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
3-(2-methoxyethylsulfinylmethyl)aniline
CID 54594034

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide (CID 119327284) is 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide is COCCS(=O)Cc1cccc(NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide?
The InChIKey is BLIXXMWANPRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-8-9-20(18)11-12-4-2-5-13(10-12)16-14(17)6-3-7-15/h2,4-5,10H,3,6-9,11,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide?
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide is sourced from PubChem (CID 119327284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).