2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide

C16H24ClNOS — CID 94844150

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNOS/c1-15(2,3)11-16(4,5)18-14(19)10-20-13-8-6-12(17)7-9-13/h6-9H,10-11H2,1-5H3,(H,18,19)
InChIKeyHYNSWQANIQBHDB-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.76
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 94844150) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID94844150
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNOS/c1-15(2,3)11-16(4,5)18-14(19)10-20-13-8-6-12(17)7-9-13/h6-9H,10-11H2,1-5H3,(H,18,19)
InChIKeyHYNSWQANIQBHDB-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107846297
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825250
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 47298335
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 119522821
2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 9340645
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(4-bromophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390574
N-(1-bromo-2-methylpropan-2-yl)-2-phenylsulfanylacetamide
CID 114308012
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 94844150) is 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is HYNSWQANIQBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-15(2,3)11-16(4,5)18-14(19)10-20-13-8-6-12(17)7-9-13/h6-9H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 313.89 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 94844150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).