2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide

C18H23N3O3S — CID 113156163

IUPAC2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
SMILESCN(C)c1ccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-19(2)15-10-12-17(13-11-15)21(25(4,23)24)14-18(22)20(3)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3
InChIKeyXNXUSCOQTBAVGB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide

2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide (PubChem CID 113156163) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
PubChem CID113156163
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
SMILESCN(C)c1ccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-19(2)15-10-12-17(13-11-15)21(25(4,23)24)14-18(22)20(3)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3
InChIKeyXNXUSCOQTBAVGB-UHFFFAOYSA-N
XLogP2.18
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
CID 30272380
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
2-(N-methylsulfonylanilino)acetate
CID 2063945
2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155655
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
methyl 4-[methylsulfonyl-[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]benzoate
CID 56539379
N-tert-butyl-2-(N-methylsulfonylanilino)acetamide
CID 51343017
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N,N-dimethylacetamide
CID 30256478
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide (CID 113156163) is 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide is CN(C)c1ccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide?
The InChIKey is XNXUSCOQTBAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-19(2)15-10-12-17(13-11-15)21(25(4,23)24)14-18(22)20(3)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide?
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide has a molecular weight of 361.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113156163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).