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

C17H28N2O4S — CID 113145028

IUPACN-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-13(2)23-15-10-8-7-9-14(15)19(24(6,21)22)12-11-16(20)18-17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,18,20)
InChIKeyKPIKCTNVODRVBL-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.54
Rot. Bonds7

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

N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide (PubChem CID 113145028) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
PubChem CID113145028
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-13(2)23-15-10-8-7-9-14(15)19(24(6,21)22)12-11-16(20)18-17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,18,20)
InChIKeyKPIKCTNVODRVBL-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143001
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113145026
ethyl 2-[[3-(tert-butylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146691
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
CID 113070721
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide (CID 113145028) is N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide is CC(C)Oc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide?
The InChIKey is KPIKCTNVODRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13(2)23-15-10-8-7-9-14(15)19(24(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-yloxyanilino)propanamide?
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide has a molecular weight of 356.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 113145028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).