(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride

C19H26ClN3O3S — CID 119270879

IUPAC(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-19(2,3)22-26(24,25)16-11-7-10-15(13-16)21-18(23)17(20)12-14-8-5-4-6-9-14;/h4-11,13,17,22H,12,20H2,1-3H3,(H,21,23);1H/t17-;/m0./s1
InChIKeyHHPVZPXNIRQUOF-LMOVPXPDSA-N
MW411.96 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119270879) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119270879
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-19(2,3)22-26(24,25)16-11-7-10-15(13-16)21-18(23)17(20)12-14-8-5-4-6-9-14;/h4-11,13,17,22H,12,20H2,1-3H3,(H,21,23);1H/t17-;/m0./s1
InChIKeyHHPVZPXNIRQUOF-LMOVPXPDSA-N
XLogP2.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119332400
(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide
CID 57193196
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(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-fluorophenyl)-3-phenylpropanamide
CID 22691298
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride (CID 119270879) is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is HHPVZPXNIRQUOF-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-19(2,3)22-26(24,25)16-11-7-10-15(13-16)21-18(23)17(20)12-14-8-5-4-6-9-14;/h4-11,13,17,22H,12,20H2,1-3H3,(H,21,23);1H/t17-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.69, 6 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-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119270879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).