N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide

C19H23NOS — CID 2953339

IUPACN-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCCC(C)(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-4-19(2,3)20-18(21)17(15-11-7-5-8-12-15)22-16-13-9-6-10-14-16/h5-14,17H,4H2,1-3H3,(H,20,21)
InChIKeyWYEDCKUVFGHVJB-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.82
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide

N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2953339) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2953339
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCCC(C)(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-4-19(2,3)20-18(21)17(15-11-7-5-8-12-15)22-16-13-9-6-10-14-16/h5-14,17H,4H2,1-3H3,(H,20,21)
InChIKeyWYEDCKUVFGHVJB-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 2953339) is N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide is CCC(C)(C)NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is WYEDCKUVFGHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-4-19(2,3)20-18(21)17(15-11-7-5-8-12-15)22-16-13-9-6-10-14-16/h5-14,17H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 313.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2953339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).