2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide

C14H21ClN2O3S — CID 79555531

IUPAC2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)CC(C)CCl)c1C
InChIInChI=1S/C14H21ClN2O3S/c1-10(7-15)9-21(19,20)16-8-14(18)17-13-6-4-5-11(2)12(13)3/h4-6,10,16H,7-9H2,1-3H3,(H,17,18)
InChIKeySPWCBUFWTTUJIF-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.04
Rot. Bonds7

About 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide

2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 79555531) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID79555531
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)CC(C)CCl)c1C
InChIInChI=1S/C14H21ClN2O3S/c1-10(7-15)9-21(19,20)16-8-14(18)17-13-6-4-5-11(2)12(13)3/h4-6,10,16H,7-9H2,1-3H3,(H,17,18)
InChIKeySPWCBUFWTTUJIF-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide
CID 116814895
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
CID 112997974
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
methyl 3-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylbenzoate
CID 79585401
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide (CID 79555531) is 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNS(=O)(=O)CC(C)CCl)c1C.
What is the InChIKey of 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is SPWCBUFWTTUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(7-15)9-21(19,20)16-8-14(18)17-13-6-4-5-11(2)12(13)3/h4-6,10,16H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 79555531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).