N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide

C16H26N2O3S — CID 113142715

IUPACN-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-6-13-9-7-8-10-14(13)18(22(5,20)21)12-11-15(19)17-16(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,17,19)
InChIKeyMAENNHVHIWGCJR-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.32
Rot. Bonds6

About N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide

N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142715) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142715
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-6-13-9-7-8-10-14(13)18(22(5,20)21)12-11-15(19)17-16(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,17,19)
InChIKeyMAENNHVHIWGCJR-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.32
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-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143001
N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
ethyl 2-[[3-(tert-butylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146691
N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145028
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide (CID 113142715) is N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide is CCc1ccccc1N(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is MAENNHVHIWGCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-13-9-7-8-10-14(13)18(22(5,20)21)12-11-15(19)17-16(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide?
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 326.46 g/mol, XLogP of 2.32, 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-(2-ethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).