N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide

C17H28N2O3S — CID 113143001

IUPACN-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-13(2)14-9-7-8-10-15(14)19(23(6,21)22)12-11-16(20)18-17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,18,20)
InChIKeyFISOOWYZJPXSEK-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.88
Rot. Bonds6

About N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide

N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide (PubChem CID 113143001) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
PubChem CID113143001
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
SMILESCC(C)c1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-13(2)14-9-7-8-10-15(14)19(23(6,21)22)12-11-16(20)18-17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,18,20)
InChIKeyFISOOWYZJPXSEK-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028
N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143022
ethyl 2-[[3-(tert-butylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146691
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide (CID 113143001) is N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide is CC(C)c1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
The InChIKey is FISOOWYZJPXSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13(2)14-9-7-8-10-15(14)19(23(6,21)22)12-11-16(20)18-17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,18,20).
What are the key properties of N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 113143001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).