N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide

C17H17N5OS — CID 60564109

IUPACN-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
SMILESC=CCn1nnnc1SC(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H17N5OS/c1-3-10-22-17(19-20-21-22)24-12(2)16(23)18-15-9-8-13-6-4-5-7-14(13)11-15/h3-9,11-12H,1,10H2,2H3,(H,18,23)
InChIKeyRUCYUEZCRGNRGF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.13
Rot. Bonds6

About N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide

N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 60564109) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
PubChem CID60564109
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
SMILESC=CCn1nnnc1SC(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H17N5OS/c1-3-10-22-17(19-20-21-22)24-12(2)16(23)18-15-9-8-13-6-4-5-7-14(13)11-15/h3-9,11-12H,1,10H2,2H3,(H,18,23)
InChIKeyRUCYUEZCRGNRGF-UHFFFAOYSA-N
XLogP3.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51244536
N-(2-methylphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
CID 60563872
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411
2-(1-prop-2-enyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55996383
N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259197
(2S)-N-naphthalen-2-yl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
CID 8616048
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 46670724
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 18289109
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 7831627
(2S)-2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 41291816
(2R)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 7955123
(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
CID 41260469

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide (CID 60564109) is N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide is C=CCn1nnnc1SC(C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is RUCYUEZCRGNRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-3-10-22-17(19-20-21-22)24-12(2)16(23)18-15-9-8-13-6-4-5-7-14(13)11-15/h3-9,11-12H,1,10H2,2H3,(H,18,23).
What are the key properties of N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide?
N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 339.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 60564109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).