N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide

C14H22N2OS — CID 64649554

IUPACN-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(N)C(C)(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(17)16-11-5-7-12(8-6-11)18-9-13(15)14(2,3)4/h5-8,13H,9,15H2,1-4H3,(H,16,17)
InChIKeyJVENTWDVLCTNLZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.11
Rot. Bonds4

About N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide

N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide (PubChem CID 64649554) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
PubChem CID64649554
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(N)C(C)(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(17)16-11-5-7-12(8-6-11)18-9-13(15)14(2,3)4/h5-8,13H,9,15H2,1-4H3,(H,16,17)
InChIKeyJVENTWDVLCTNLZ-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
CID 117032830
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfanylbutan-2-amine
CID 64625979
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide
CID 104755373
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 63934636
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide (CID 64649554) is N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(N)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide?
The InChIKey is JVENTWDVLCTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(17)16-11-5-7-12(8-6-11)18-9-13(15)14(2,3)4/h5-8,13H,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide?
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 64649554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).