N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide

C15H22Cl2N2O6S — CID 142627842

IUPACN-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
SMILESCOC(CNC(=O)C(NS(C)(=O)=O)C(C)O)(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O6S/c1-9(20)13(19-26(4,22)23)14(21)18-8-15(24-2,25-3)11-6-5-10(16)7-12(11)17/h5-7,9,13,19-20H,8H2,1-4H3,(H,18,21)
InChIKeySFLKSCGMTVGFDC-UHFFFAOYSA-N
MW429.32 g/mol
LogP0.85
Rot. Bonds9

About N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide

N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide (PubChem CID 142627842) has the molecular formula C15H22Cl2N2O6S and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
PubChem CID142627842
Molecular FormulaC15H22Cl2N2O6S
Molecular Weight429.32 g/mol
Exact Mass428.06
IUPAC NameN-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
SMILESCOC(CNC(=O)C(NS(C)(=O)=O)C(C)O)(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O6S/c1-9(20)13(19-26(4,22)23)14(21)18-8-15(24-2,25-3)11-6-5-10(16)7-12(11)17/h5-7,9,13,19-20H,8H2,1-4H3,(H,18,21)
InChIKeySFLKSCGMTVGFDC-UHFFFAOYSA-N
XLogP0.85
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide 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

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(methanesulfonamido)-3-methylpentanamide
CID 142628085
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide
CID 142627826
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
[(1S)-1-(2,4-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407141
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
CID 142628080
(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 120666169
2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 82308452
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide (CID 142627842) is N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide is COC(CNC(=O)C(NS(C)(=O)=O)C(C)O)(OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
The InChIKey is SFLKSCGMTVGFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O6S/c1-9(20)13(19-26(4,22)23)14(21)18-8-15(24-2,25-3)11-6-5-10(16)7-12(11)17/h5-7,9,13,19-20H,8H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide has a molecular weight of 429.32 g/mol, XLogP of 0.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2,2-dimethoxyethyl]-3-hydroxy-2-(methanesulfonamido)butanamide is sourced from PubChem (CID 142627842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).