2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide

C15H23NOS — CID 112781301

IUPAC2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCSCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H23NOS/c1-4-5-10-18-11-15(17)16-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyNHTWQQDPUTUGGX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.28
Rot. Bonds7

About 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide

2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 112781301) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
PubChem CID112781301
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCSCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H23NOS/c1-4-5-10-18-11-15(17)16-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyNHTWQQDPUTUGGX-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-octylsulfanylacetamide
CID 15817217
2-[2-[(2-butylsulfanylacetyl)amino]phenyl]acetic acid
CID 62535151
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 66103390
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110178593
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
[2-oxo-2-(2-propan-2-ylanilino)ethyl] N'-aminocarbamimidothioate
CID 77061136
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide (CID 112781301) is 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide is CCCCSCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is NHTWQQDPUTUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-5-10-18-11-15(17)16-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 265.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 112781301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).