4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide

C15H24N2O3S — CID 119324076

IUPAC4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
SMILESCC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)21(19,20)11-12-6-4-7-13(10-12)17-14(18)8-5-9-16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyBJIFFBOVKRHSHW-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.08
Rot. Bonds6

About 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide

4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide (PubChem CID 119324076) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
PubChem CID119324076
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
SMILESCC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)21(19,20)11-12-6-4-7-13(10-12)17-14(18)8-5-9-16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyBJIFFBOVKRHSHW-UHFFFAOYSA-N
XLogP2.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]benzamide;hydrochloride
CID 119945428
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119784303
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
CID 119327284
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide (CID 119324076) is 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide is CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide?
The InChIKey is BJIFFBOVKRHSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,3)21(19,20)11-12-6-4-7-13(10-12)17-14(18)8-5-9-16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide?
4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide has a molecular weight of 312.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide is sourced from PubChem (CID 119324076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).