2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide

C24H25NOS — CID 5145476

IUPAC2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide
SMILESCC(C)(C)c1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-24(2,3)19-14-16-22(17-15-19)27-18-23(26)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,18H2,1-3H3
InChIKeyXMROLNXPRJAMTK-UHFFFAOYSA-N
MW375.54 g/mol
LogP6.44
Rot. Bonds5

About 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide

2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide (PubChem CID 5145476) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide
PubChem CID5145476
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide
SMILESCC(C)(C)c1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-24(2,3)19-14-16-22(17-15-19)27-18-23(26)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,18H2,1-3H3
InChIKeyXMROLNXPRJAMTK-UHFFFAOYSA-N
XLogP6.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide (CID 5145476) is 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide is CC(C)(C)c1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide?
The InChIKey is XMROLNXPRJAMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-24(2,3)19-14-16-22(17-15-19)27-18-23(26)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,18H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide?
2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide has a molecular weight of 375.54 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide is sourced from PubChem (CID 5145476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).