2-phenyl-2-phenylsulfanyl-N-propylacetamide

C17H19NOS — CID 2890539

IUPAC2-phenyl-2-phenylsulfanyl-N-propylacetamide
SMILESCCCNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-13-18-17(19)16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)
InChIKeyKUDLTJOLPOMFSH-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.05
Rot. Bonds6

About 2-phenyl-2-phenylsulfanyl-N-propylacetamide

2-phenyl-2-phenylsulfanyl-N-propylacetamide (PubChem CID 2890539) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-propylacetamide
PubChem CID2890539
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-phenyl-2-phenylsulfanyl-N-propylacetamide
SMILESCCCNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-13-18-17(19)16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)
InChIKeyKUDLTJOLPOMFSH-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenethyl-2-phenylacetamide
CID 138516
trans-N-cyanomethyl-2-(4-fluorophenylsulfanylmethyl)-cyclohexanecarboxamide
CID 9901142
trans-N-cyanomethyl-2-(4-methylsulfanylphenylsulfanylmethyl)-Cyclohexanecarboxamide
CID 10131775
(1R,2R)-N-(cyanomethyl)-2-{[(3-fluorophenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10193166
(1R,2R)-N-(cyanomethyl)-2-{[(4-iodophenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10194508
(1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]cyclohexane-1-carboxamide
CID 10214815
(1R,2R)-N-(cyanomethyl)-2-{[(4-methylphenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10308440
N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-(2-oxotetrahydrothiophen-3-yl)-2,2-diphenylacetamide
CID 3136355
4-phenyl-N-(2-phenylethyl)butanamide
CID 836348
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-propylacetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-propylacetamide (CID 2890539) is 2-phenyl-2-phenylsulfanyl-N-propylacetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-propylacetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-propylacetamide is CCCNC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-propylacetamide?
The InChIKey is KUDLTJOLPOMFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-13-18-17(19)16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-propylacetamide?
2-phenyl-2-phenylsulfanyl-N-propylacetamide has a molecular weight of 285.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-propylacetamide is sourced from PubChem (CID 2890539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).