2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide

C18H15ClN2OS — CID 112815636

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESCC(Sc1ccc(Cl)cn1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15ClN2OS/c1-12(23-17-10-9-14(19)11-20-17)18(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3,(H,21,22)
InChIKeyJOZAPPYUJYBHLV-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.01
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide (PubChem CID 112815636) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
PubChem CID112815636
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESCC(Sc1ccc(Cl)cn1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15ClN2OS/c1-12(23-17-10-9-14(19)11-20-17)18(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3,(H,21,22)
InChIKeyJOZAPPYUJYBHLV-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16535787
(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785065
(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 7785389
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 4819393
N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9456862
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 8010528
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
CID 7464840
2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide
CID 3138558
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea
CID 17181566
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide (CID 112815636) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide is CC(Sc1ccc(Cl)cn1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The InChIKey is JOZAPPYUJYBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12(23-17-10-9-14(19)11-20-17)18(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3,(H,21,22).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide has a molecular weight of 342.85 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 112815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).