5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide

C14H23N3O3S — CID 104684256

IUPAC5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(C)CCCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-21(19,20)17-13-8-6-12(7-9-13)16-14(18)11(2)5-4-10-15/h6-9,11,17H,3-5,10,15H2,1-2H3,(H,16,18)
InChIKeyIHQVCZRKZDRMBJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.76
Rot. Bonds8

About 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide

5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide (PubChem CID 104684256) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
PubChem CID104684256
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(C)CCCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-21(19,20)17-13-8-6-12(7-9-13)16-14(18)11(2)5-4-10-15/h6-9,11,17H,3-5,10,15H2,1-2H3,(H,16,18)
InChIKeyIHQVCZRKZDRMBJ-UHFFFAOYSA-N
XLogP1.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[4-(ethylsulfamoyl)phenyl]-2-methylpentanamide
CID 104684086
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide (CID 104684256) is 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide is CCS(=O)(=O)Nc1ccc(NC(=O)C(C)CCCN)cc1.
What is the InChIKey of 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide?
The InChIKey is IHQVCZRKZDRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-21(19,20)17-13-8-6-12(7-9-13)16-14(18)11(2)5-4-10-15/h6-9,11,17H,3-5,10,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide?
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide has a molecular weight of 313.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide is sourced from PubChem (CID 104684256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).