2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide

C16H26N2O3S — CID 119790069

IUPAC2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(=O)CCOC)c1
InChIInChI=1S/C16H26N2O3S/c1-4-8-16(2,17)15(19)18-14-7-5-6-13(11-14)12-22(20)10-9-21-3/h5-7,11H,4,8-10,12,17H2,1-3H3,(H,18,19)
InChIKeyCSFSRKOWKSMHHK-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.04
Rot. Bonds9

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

2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide (PubChem CID 119790069) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
PubChem CID119790069
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(=O)CCOC)c1
InChIInChI=1S/C16H26N2O3S/c1-4-8-16(2,17)15(19)18-14-7-5-6-13(11-14)12-22(20)10-9-21-3/h5-7,11H,4,8-10,12,17H2,1-3H3,(H,18,19)
InChIKeyCSFSRKOWKSMHHK-UHFFFAOYSA-N
XLogP2.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide 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

2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
CID 119789921
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
CID 119327284
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272
N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119790066
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
3-(2-methoxyethylsulfinylmethyl)aniline
CID 54594034
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505
2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride
CID 119739656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide (CID 119790069) is 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cccc(CS(=O)CCOC)c1.
What is the InChIKey of 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide?
The InChIKey is CSFSRKOWKSMHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-8-16(2,17)15(19)18-14-7-5-6-13(11-14)12-22(20)10-9-21-3/h5-7,11H,4,8-10,12,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide?
2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide has a molecular weight of 326.46 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 119790069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).