N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide

C13H20N2OS — CID 117032830

IUPACN-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCCC(C)(C)N)cc1
InChIInChI=1S/C13H20N2OS/c1-10(16)15-11-4-6-12(7-5-11)17-9-8-13(2,3)14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyVGXYZKZFPSGACG-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.86
Rot. Bonds5

About N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide

N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide (PubChem CID 117032830) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
PubChem CID117032830
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCCC(C)(C)N)cc1
InChIInChI=1S/C13H20N2OS/c1-10(16)15-11-4-6-12(7-5-11)17-9-8-13(2,3)14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyVGXYZKZFPSGACG-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
CID 64649554
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide (CID 117032830) is N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCCC(C)(C)N)cc1.
What is the InChIKey of N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide?
The InChIKey is VGXYZKZFPSGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(16)15-11-4-6-12(7-5-11)17-9-8-13(2,3)14/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide?
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide has a molecular weight of 252.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 117032830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).