2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide

C13H21N3O4S — CID 62473931

IUPAC2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H21N3O4S/c1-3-21(18,19)16-11-6-4-10(5-7-11)15-13(17)12(14)8-9-20-2/h4-7,12,16H,3,8-9,14H2,1-2H3,(H,15,17)
InChIKeyKWZQRIYBFWCBPY-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.75
Rot. Bonds8

About 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide

2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide (PubChem CID 62473931) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
PubChem CID62473931
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H21N3O4S/c1-3-21(18,19)16-11-6-4-10(5-7-11)15-13(17)12(14)8-9-20-2/h4-7,12,16H,3,8-9,14H2,1-2H3,(H,15,17)
InChIKeyKWZQRIYBFWCBPY-UHFFFAOYSA-N
XLogP0.75
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide 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-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500
2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide (CID 62473931) is 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide is CCS(=O)(=O)Nc1ccc(NC(=O)C(N)CCOC)cc1.
What is the InChIKey of 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide?
The InChIKey is KWZQRIYBFWCBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-21(18,19)16-11-6-4-10(5-7-11)15-13(17)12(14)8-9-20-2/h4-7,12,16H,3,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide?
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide has a molecular weight of 315.39 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide is sourced from PubChem (CID 62473931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).