N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide

C18H21NOS — CID 4518969

IUPACN-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-14(2)19-18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,19,20)
InChIKeyQKVHXYWVAUAHEO-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.43
Rot. Bonds6

About N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide

N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 4518969) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID4518969
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-3-14(2)19-18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,19,20)
InChIKeyQKVHXYWVAUAHEO-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide (CID 4518969) is N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide is CCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is QKVHXYWVAUAHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-14(2)19-18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide?
N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 4518969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).