N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide

C18H21NOS — CID 2914447

IUPACN-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1ccccc1
InChIInChI=1S/C18H21NOS/c1-15(12-13-16-8-4-2-5-9-16)19-18(20)14-21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,19,20)
InChIKeyKVTXNBBIHPZZPA-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.92
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide

N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide (PubChem CID 2914447) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide
PubChem CID2914447
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1ccccc1
InChIInChI=1S/C18H21NOS/c1-15(12-13-16-8-4-2-5-9-16)19-18(20)14-21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,19,20)
InChIKeyKVTXNBBIHPZZPA-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide (CID 2914447) is N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide is CC(CCc1ccccc1)NC(=O)CSc1ccccc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is KVTXNBBIHPZZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-15(12-13-16-8-4-2-5-9-16)19-18(20)14-21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,19,20).
What are the key properties of N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide?
N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2914447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).