2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide

C18H31N3O3S — CID 113157055

IUPAC2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H31N3O3S/c1-7-20(8-2)16-9-10-17(15(5)11-16)21(25(6,23)24)13-18(22)19-12-14(3)4/h9-11,14H,7-8,12-13H2,1-6H3,(H,19,22)
InChIKeyXXJRRLALWIJTMB-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.38
Rot. Bonds9

About 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide

2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide (PubChem CID 113157055) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide
PubChem CID113157055
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H31N3O3S/c1-7-20(8-2)16-9-10-17(15(5)11-16)21(25(6,23)24)13-18(22)19-12-14(3)4/h9-11,14H,7-8,12-13H2,1-6H3,(H,19,22)
InChIKeyXXJRRLALWIJTMB-UHFFFAOYSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
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-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
CID 113157058
N-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157066
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
CID 113156834
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 48557581

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide (CID 113157055) is 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide is CCN(CC)c1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide?
The InChIKey is XXJRRLALWIJTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-7-20(8-2)16-9-10-17(15(5)11-16)21(25(6,23)24)13-18(22)19-12-14(3)4/h9-11,14H,7-8,12-13H2,1-6H3,(H,19,22).
What are the key properties of 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide?
2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide has a molecular weight of 369.53 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113157055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).