6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide

C14H23N3O3S — CID 60944515

IUPAC6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-2-21(19,20)17-13-9-7-12(8-10-13)16-14(18)6-4-3-5-11-15/h7-10,17H,2-6,11,15H2,1H3,(H,16,18)
InChIKeyCYZXWYFXAYIHNO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.91
Rot. Bonds9

About 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide

6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide (PubChem CID 60944515) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
PubChem CID60944515
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C14H23N3O3S/c1-2-21(19,20)17-13-9-7-12(8-10-13)16-14(18)6-4-3-5-11-15/h7-10,17H,2-6,11,15H2,1H3,(H,16,18)
InChIKeyCYZXWYFXAYIHNO-UHFFFAOYSA-N
XLogP1.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
CID 119754206
3-bromo-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 113385211
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 63679707
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide (CID 60944515) is 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCCCCN)cc1.
What is the InChIKey of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?
The InChIKey is CYZXWYFXAYIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-21(19,20)17-13-9-7-12(8-10-13)16-14(18)6-4-3-5-11-15/h7-10,17H,2-6,11,15H2,1H3,(H,16,18).
What are the key properties of 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide?
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide has a molecular weight of 313.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide is sourced from PubChem (CID 60944515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).