2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide

C12H17NOS — CID 110771193

IUPAC2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
SMILESCSc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)13-12(14)8-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyPPZDAEFENLMPOS-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide

2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide (PubChem CID 110771193) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
PubChem CID110771193
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
SMILESCSc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)13-12(14)8-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyPPZDAEFENLMPOS-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylprop-2-enyl)-2-(4-methylsulfanylphenyl)acetamide
CID 144564680
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
methyl 2-(4-methylsulfanylphenyl)acetate
CID 12067662
propan-2-yl 4-methylsulfanyl-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]butanoate
CID 3855823
ethane;methyl 2-(4-methylsulfanylphenyl)acetate
CID 144684310
2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide
CID 110771195
tert-butyl N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]carbamate
CID 58495494
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-[4-(4-methylsulfanylphenoxy)phenyl]acetic acid
CID 70507795
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide (CID 110771193) is 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide is CSc1ccc(CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide?
The InChIKey is PPZDAEFENLMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(2)13-12(14)8-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide?
2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110771193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).