N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride

C13H20ClF2N3O3S — CID 119798889

IUPACN-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F.Cl
InChIInChI=1S/C13H19F2N3O3S.ClH/c1-13(2,3)18-22(20,21)11-6-10(8(14)5-9(11)15)17-12(19)7-16-4;/h5-6,16,18H,7H2,1-4H3,(H,17,19);1H
InChIKeyQRPXQKXJPTXCKJ-UHFFFAOYSA-N
MW371.84 g/mol
LogP1.62
Rot. Bonds5

About N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride

N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119798889) has the molecular formula C13H20ClF2N3O3S and a molecular weight of 371.84 g/mol. Its IUPAC name is N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119798889
Molecular FormulaC13H20ClF2N3O3S
Molecular Weight371.84 g/mol
Exact Mass371.09
IUPAC NameN-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F.Cl
InChIInChI=1S/C13H19F2N3O3S.ClH/c1-13(2,3)18-22(20,21)11-6-10(8(14)5-9(11)15)17-12(19)7-16-4;/h5-6,16,18H,7H2,1-4H3,(H,17,19);1H
InChIKeyQRPXQKXJPTXCKJ-UHFFFAOYSA-N
XLogP1.62
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide
CID 119332348
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride
CID 120501411
(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
CID 119798894
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798887
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194
N-[2-(methanesulfonamido)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119704021
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468

Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride (CID 119798889) is N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F.Cl.
What is the InChIKey of N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is QRPXQKXJPTXCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O3S.ClH/c1-13(2,3)18-22(20,21)11-6-10(8(14)5-9(11)15)17-12(19)7-16-4;/h5-6,16,18H,7H2,1-4H3,(H,17,19);1H.
What are the key properties of N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride?
N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 371.84 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119798889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).