(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide

C16H27N3O3S — CID 119688794

IUPAC(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C16H27N3O3S/c1-15(2,3)13(17)14(20)18-11-8-7-9-12(10-11)23(21,22)19-16(4,5)6/h7-10,13,19H,17H2,1-6H3,(H,18,20)/t13-/m1/s1
InChIKeyJBKJMDDCJLHONC-CYBMUJFWSA-N
MW341.48 g/mol
LogP2.08
Rot. Bonds4

About (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 119688794) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
PubChem CID119688794
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C16H27N3O3S/c1-15(2,3)13(17)14(20)18-11-8-7-9-12(10-11)23(21,22)19-16(4,5)6/h7-10,13,19H,17H2,1-6H3,(H,18,20)/t13-/m1/s1
InChIKeyJBKJMDDCJLHONC-CYBMUJFWSA-N
XLogP2.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119798970
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 9371847
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9371831
(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
CID 119794996
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide (CID 119688794) is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is JBKJMDDCJLHONC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-15(2,3)13(17)14(20)18-11-8-7-9-12(10-11)23(21,22)19-16(4,5)6/h7-10,13,19H,17H2,1-6H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 341.48 g/mol, XLogP of 2.08, 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-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119688794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).