N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide

C17H20N2OS — CID 5060029

IUPACN-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1ccccn1
InChIInChI=1S/C17H20N2OS/c1-14(10-11-15-7-3-2-4-8-15)19-16(20)13-21-17-9-5-6-12-18-17/h2-9,12,14H,10-11,13H2,1H3,(H,19,20)
InChIKeyOTPAPPLYOXOORC-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.31
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide

N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 5060029) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID5060029
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1ccccn1
InChIInChI=1S/C17H20N2OS/c1-14(10-11-15-7-3-2-4-8-15)19-16(20)13-21-17-9-5-6-12-18-17/h2-9,12,14H,10-11,13H2,1H3,(H,19,20)
InChIKeyOTPAPPLYOXOORC-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(pyridin-2-ylsulfanyl)acetohydrazide
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2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
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Butyramide, N-(6-isopropyl-2-methylsulfanylpyridin-3-ylmethyl)-3-phenyl-
CID 3605388
2-[(1-Phenylethyl)sulfanyl]pyridine 1-oxide
CID 4071098
tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
CID 137628296
tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
CID 137628297
tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
CID 137628298
ST4014630
CID 684061
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
1-(2,3-Dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide (CID 5060029) is N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide is CC(CCc1ccccc1)NC(=O)CSc1ccccn1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is OTPAPPLYOXOORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-14(10-11-15-7-3-2-4-8-15)19-16(20)13-21-17-9-5-6-12-18-17/h2-9,12,14H,10-11,13H2,1H3,(H,19,20).
What are the key properties of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 5060029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).