3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide

C20H28N2O3S — CID 151700854

IUPAC3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide
SMILES[2H]C(NS(=O)(=O)c1cccc(N)c1CC(O)CCc1ccccc1)C(C)C
InChIInChI=1S/C20H28N2O3S/c1-15(2)14-22-26(24,25)20-10-6-9-19(21)18(20)13-17(23)12-11-16-7-4-3-5-8-16/h3-10,15,17,22-23H,11-14,21H2,1-2H3/i14D
InChIKeyREOFKULNJOWTTA-FCFVPJCTSA-N
MW377.53 g/mol
LogP2.74
Rot. Bonds9

About 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide

3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide (PubChem CID 151700854) has the molecular formula C20H28N2O3S and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide
PubChem CID151700854
Molecular FormulaC20H28N2O3S
Molecular Weight377.53 g/mol
Exact Mass377.19
IUPAC Name3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide
SMILES[2H]C(NS(=O)(=O)c1cccc(N)c1CC(O)CCc1ccccc1)C(C)C
InChIInChI=1S/C20H28N2O3S/c1-15(2)14-22-26(24,25)20-10-6-9-19(21)18(20)13-17(23)12-11-16-7-4-3-5-8-16/h3-10,15,17,22-23H,11-14,21H2,1-2H3/i14D
InChIKeyREOFKULNJOWTTA-FCFVPJCTSA-N
XLogP2.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide 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-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
3-amino-N-[3-[(2R)-3-amino-2-methylpropyl]-2-hydroxyphenyl]-2-(2-methylpropyl)benzenesulfonamide
CID 70097266
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
3,4-diamino-N-(2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)benzenesulfonamide
CID 174568827
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-amino-N-[(2R)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1,3-benzothiazole-4-sulfonamide
CID 57268999
1-methylsulfonyl-5-phenylpentan-2-ol
CID 15270511
benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate
CID 54417700
2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132450
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide (CID 151700854) is 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide is [2H]C(NS(=O)(=O)c1cccc(N)c1CC(O)CCc1ccccc1)C(C)C.
What is the InChIKey of 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide?
The InChIKey is REOFKULNJOWTTA-FCFVPJCTSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-15(2)14-22-26(24,25)20-10-6-9-19(21)18(20)13-17(23)12-11-16-7-4-3-5-8-16/h3-10,15,17,22-23H,11-14,21H2,1-2H3/i14D.
What are the key properties of 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide?
3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide has a molecular weight of 377.53 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-deuterio-2-methylpropyl)-2-(2-hydroxy-4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 151700854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).