N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide

C14H28N2O4S2 — CID 166780849

IUPACN-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCC(C)C)C(=O)CSC(C)C
InChIInChI=1S/C14H28N2O4S2/c1-11(2)6-9-22(19,20)15-7-8-16(13(5)17)14(18)10-21-12(3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyZGFBCDSKFVZONF-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.47
Rot. Bonds10

About N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide

N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 166780849) has the molecular formula C14H28N2O4S2 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide
PubChem CID166780849
Molecular FormulaC14H28N2O4S2
Molecular Weight352.52 g/mol
Exact Mass352.15
IUPAC NameN-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)CCC(C)C)C(=O)CSC(C)C
InChIInChI=1S/C14H28N2O4S2/c1-11(2)6-9-22(19,20)15-7-8-16(13(5)17)14(18)10-21-12(3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyZGFBCDSKFVZONF-UHFFFAOYSA-N
XLogP1.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113052581
N-(4-bromopentyl)-3-methylbutane-1-sulfonamide
CID 106135738
N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
CID 56795208
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
N-(3-bromo-4-methoxybutyl)-3-methylbutane-1-sulfonamide
CID 106245684
1-butyl-3-(3-methylbutylsulfonyl)urea
CID 119094242
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 66178801
N-(1-phenylethyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113054490
N-(2-bromo-4,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 107158135
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115691770

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide (CID 166780849) is N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide is CC(=O)N(CCNS(=O)(=O)CCC(C)C)C(=O)CSC(C)C.
What is the InChIKey of N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is ZGFBCDSKFVZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S2/c1-11(2)6-9-22(19,20)15-7-8-16(13(5)17)14(18)10-21-12(3)4/h11-12,15H,6-10H2,1-5H3.
What are the key properties of N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide?
N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 352.52 g/mol, XLogP of 1.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 166780849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).