2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide

C14H20ClNOS — CID 78768343

IUPAC2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(C)(C)SCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNOS/c1-14(2,3)18-10-13(17)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyDYAAFXICPFKGST-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.53
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide

2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 78768343) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID78768343
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(C)(C)SCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNOS/c1-14(2,3)18-10-13(17)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyDYAAFXICPFKGST-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]butanamide
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N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-tert-butylsulfanylacetamide
CID 35371796
5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate
CID 7324495
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2708663
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
[4-[2-(propanoylamino)ethyl]phenyl] 2-tert-butylsulfanylacetate
CID 67991696
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
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2-(4-chlorophenyl)ethylcarbamic acid
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N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 78768343) is 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide is CC(C)(C)SCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is DYAAFXICPFKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-14(2,3)18-10-13(17)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 285.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 78768343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).