N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide

C16H26N2O3S — CID 113142055

IUPACN-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H26N2O3S/c1-12-7-8-14(13(2)11-12)18(22(6,20)21)10-9-15(19)17-16(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,17,19)
InChIKeyCLOWPIDWQSLFBX-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.37
Rot. Bonds5

About N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide

N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142055) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142055
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H26N2O3S/c1-12-7-8-14(13(2)11-12)18(22(6,20)21)10-9-15(19)17-16(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,17,19)
InChIKeyCLOWPIDWQSLFBX-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 113142055) is N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(CCC(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is CLOWPIDWQSLFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-7-8-14(13(2)11-12)18(22(6,20)21)10-9-15(19)17-16(3,4)5/h7-8,11H,9-10H2,1-6H3,(H,17,19).
What are the key properties of N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 326.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).