N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide

C12H17NOS — CID 21131547

IUPACN-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
SMILESCc1ccc(C(C)C)cc1NC(=O)CS
InChIInChI=1S/C12H17NOS/c1-8(2)10-5-4-9(3)11(6-10)13-12(14)7-15/h4-6,8,15H,7H2,1-3H3,(H,13,14)
InChIKeyIDSZWCRIHSXEFP-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.99
Rot. Bonds3

About N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide

N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide (PubChem CID 21131547) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
PubChem CID21131547
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
SMILESCc1ccc(C(C)C)cc1NC(=O)CS
InChIInChI=1S/C12H17NOS/c1-8(2)10-5-4-9(3)11(6-10)13-12(14)7-15/h4-6,8,15H,7H2,1-3H3,(H,13,14)
InChIKeyIDSZWCRIHSXEFP-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(2-methyl-5-propan-2-ylanilino)-5-oxopentanoic acid
CID 115163810
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide
CID 22182791
methyl 2-(2-methyl-5-propan-2-ylanilino)-2-oxoacetate
CID 115142190
2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115187173
2-hydroxy-N-(2-methyl-5-propan-2-ylphenyl)benzamide
CID 172640282
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide
CID 155581097
[2-(2-methyl-5-propan-2-ylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 153408361
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
2-methyl-4-(2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115220542

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide?
The IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide (CID 21131547) is N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide is Cc1ccc(C(C)C)cc1NC(=O)CS.
What is the InChIKey of N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide?
The InChIKey is IDSZWCRIHSXEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8(2)10-5-4-9(3)11(6-10)13-12(14)7-15/h4-6,8,15H,7H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide?
N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 21131547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).