N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide

C15H23BrN2O3S — CID 120504505

IUPACN-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide
SMILESC[C@@H](CN)NC(=O)C(CCS(C)(=O)=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O3S/c1-11(10-17)18-15(19)13(6-7-22(2,20)21)8-12-4-3-5-14(16)9-12/h3-5,9,11,13H,6-8,10,17H2,1-2H3,(H,18,19)/t11-,13?/m0/s1
InChIKeyDLQXVNXDIWMZJE-AMGKYWFPSA-N
MW391.33 g/mol
LogP1.51
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide

N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide (PubChem CID 120504505) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide
PubChem CID120504505
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide
SMILESC[C@@H](CN)NC(=O)C(CCS(C)(=O)=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O3S/c1-11(10-17)18-15(19)13(6-7-22(2,20)21)8-12-4-3-5-14(16)9-12/h3-5,9,11,13H,6-8,10,17H2,1-2H3,(H,18,19)/t11-,13?/m0/s1
InChIKeyDLQXVNXDIWMZJE-AMGKYWFPSA-N
XLogP1.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-(3-bromophenyl)propan-2-yl]-4-methylsulfonylbutanamide
CID 119956822
N-(3-aminopropyl)-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide
CID 119407481
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
(2S)-2-(aminomethyl)-3-(3-bromophenyl)propanoic acid
CID 11962264
1-(3-bromophenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63191987
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
(2R)-2-benzyl-N-[(2S)-1-hydroxy-4-methylsulfonylbutan-2-yl]-3-sulfanylpropanamide
CID 56625140
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
6-amino-2-[(3-bromophenyl)methyl]hexanoic acid
CID 104681509
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate
CID 83826083
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide (CID 120504505) is N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide is C[C@@H](CN)NC(=O)C(CCS(C)(=O)=O)Cc1cccc(Br)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is DLQXVNXDIWMZJE-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-11(10-17)18-15(19)13(6-7-22(2,20)21)8-12-4-3-5-14(16)9-12/h3-5,9,11,13H,6-8,10,17H2,1-2H3,(H,18,19)/t11-,13?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide?
N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 391.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-[(3-bromophenyl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 120504505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).