(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide

C20H27N3O3S — CID 119332400

IUPAC(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O3S/c1-14-10-11-16(13-18(14)27(25,26)23-20(2,3)4)22-19(24)17(21)12-15-8-6-5-7-9-15/h5-11,13,17,23H,12,21H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyFRVXZENFBJBZLG-KRWDZBQOSA-N
MW389.52 g/mol
LogP2.58
Rot. Bonds6

About (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide

(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide (PubChem CID 119332400) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
PubChem CID119332400
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O3S/c1-14-10-11-16(13-18(14)27(25,26)23-20(2,3)4)22-19(24)17(21)12-15-8-6-5-7-9-15/h5-11,13,17,23H,12,21H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyFRVXZENFBJBZLG-KRWDZBQOSA-N
XLogP2.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
(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
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide
CID 119293447
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide (CID 119332400) is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide is Cc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide?
The InChIKey is FRVXZENFBJBZLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14-10-11-16(13-18(14)27(25,26)23-20(2,3)4)22-19(24)17(21)12-15-8-6-5-7-9-15/h5-11,13,17,23H,12,21H2,1-4H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide?
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide has a molecular weight of 389.52 g/mol, XLogP of 2.58, 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)-4-methylphenyl]-3-phenylpropanamide is sourced from PubChem (CID 119332400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).