2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide

C16H23NOS — CID 134017051

IUPAC2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(CSCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H23NOS/c1-16(2,3)13-6-4-12(5-7-13)10-19-11-15(18)17-14-8-9-14/h4-7,14H,8-11H2,1-3H3,(H,17,18)
InChIKeyKZDVBHYZGQSBMX-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.50
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide

2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide (PubChem CID 134017051) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
PubChem CID134017051
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(CSCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H23NOS/c1-16(2,3)13-6-4-12(5-7-13)10-19-11-15(18)17-14-8-9-14/h4-7,14H,8-11H2,1-3H3,(H,17,18)
InChIKeyKZDVBHYZGQSBMX-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
2-[(4-bromophenyl)methylsulfanyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 53278905
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 114233465
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084
N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119476399
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
2-[(4-cyanophenyl)methylsulfanyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 55740120
N-cyclopentyl-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309803
4-[3-(4-tert-butylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide (CID 134017051) is 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide is CC(C)(C)c1ccc(CSCC(=O)NC2CC2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The InChIKey is KZDVBHYZGQSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-16(2,3)13-6-4-12(5-7-13)10-19-11-15(18)17-14-8-9-14/h4-7,14H,8-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide?
2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide has a molecular weight of 277.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 134017051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).