(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide

C16H25F2N3O3S — CID 119798894

IUPAC(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@@H](N)C(C)(C)C)c(F)cc1F
InChIInChI=1S/C16H25F2N3O3S/c1-15(2,3)13(19)14(22)20-11-8-12(10(18)7-9(11)17)25(23,24)21-16(4,5)6/h7-8,13,21H,19H2,1-6H3,(H,20,22)/t13-/m1/s1
InChIKeyBTEIQCAGXQQFCO-CYBMUJFWSA-N
MW377.46 g/mol
LogP2.35
Rot. Bonds4

About (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide (PubChem CID 119798894) has the molecular formula C16H25F2N3O3S and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
PubChem CID119798894
Molecular FormulaC16H25F2N3O3S
Molecular Weight377.46 g/mol
Exact Mass377.16
IUPAC Name(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@@H](N)C(C)(C)C)c(F)cc1F
InChIInChI=1S/C16H25F2N3O3S/c1-15(2,3)13(19)14(22)20-11-8-12(10(18)7-9(11)17)25(23,24)21-16(4,5)6/h7-8,13,21H,19H2,1-6H3,(H,20,22)/t13-/m1/s1
InChIKeyBTEIQCAGXQQFCO-CYBMUJFWSA-N
XLogP2.35
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride
CID 120501411
2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide
CID 119332348
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870
(2S)-2-amino-N-(2,4-difluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61178965
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803
N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798889
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119798970
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide (CID 119798894) is (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide is CC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@@H](N)C(C)(C)C)c(F)cc1F.
What is the InChIKey of (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide?
The InChIKey is BTEIQCAGXQQFCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25F2N3O3S/c1-15(2,3)13(19)14(22)20-11-8-12(10(18)7-9(11)17)25(23,24)21-16(4,5)6/h7-8,13,21H,19H2,1-6H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide has a molecular weight of 377.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119798894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).