3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride

C15H24ClF2N3O3S — CID 120501411

IUPAC3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F.Cl
InChIInChI=1S/C15H23F2N3O3S.ClH/c1-8(9(2)18)14(21)19-12-7-13(11(17)6-10(12)16)24(22,23)20-15(3,4)5;/h6-9,20H,18H2,1-5H3,(H,19,21);1H
InChIKeyZFJUDJCLVFYGLQ-UHFFFAOYSA-N
MW399.89 g/mol
LogP2.39
Rot. Bonds5

About 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride

3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride (PubChem CID 120501411) has the molecular formula C15H24ClF2N3O3S and a molecular weight of 399.89 g/mol. Its IUPAC name is 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride
PubChem CID120501411
Molecular FormulaC15H24ClF2N3O3S
Molecular Weight399.89 g/mol
Exact Mass399.12
IUPAC Name3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F.Cl
InChIInChI=1S/C15H23F2N3O3S.ClH/c1-8(9(2)18)14(21)19-12-7-13(11(17)6-10(12)16)24(22,23)20-15(3,4)5;/h6-9,20H,18H2,1-5H3,(H,19,21);1H
InChIKeyZFJUDJCLVFYGLQ-UHFFFAOYSA-N
XLogP2.39
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
CID 119798894
2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide
CID 119332348
N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798889
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798887
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
CID 120503282
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
3-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylbutanamide
CID 120500001
2-(aminomethyl)-3-methyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62814873
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride (CID 120501411) is 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F.Cl.
What is the InChIKey of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride?
The InChIKey is ZFJUDJCLVFYGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O3S.ClH/c1-8(9(2)18)14(21)19-12-7-13(11(17)6-10(12)16)24(22,23)20-15(3,4)5;/h6-9,20H,18H2,1-5H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride has a molecular weight of 399.89 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).