2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide

C14H22N2OS — CID 66229045

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(C)(C)N)c1C
InChIInChI=1S/C14H22N2OS/c1-10-6-5-7-12(11(10)2)16-13(17)8-18-9-14(3,4)15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyKTYNOIXSABLHSY-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide (PubChem CID 66229045) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
PubChem CID66229045
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(C)(C)N)c1C
InChIInChI=1S/C14H22N2OS/c1-10-6-5-7-12(11(10)2)16-13(17)8-18-9-14(3,4)15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyKTYNOIXSABLHSY-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 864327
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
CID 79682094
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 66222087
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 66230911
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820404
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773370
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 66230883

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide (CID 66229045) is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CSCC(C)(C)N)c1C.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is KTYNOIXSABLHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-6-5-7-12(11(10)2)16-13(17)8-18-9-14(3,4)15/h5-7H,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 66229045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).