N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

C19H17N5OS2 — CID 51244536

IUPACN-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1Cc1cccs1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N5OS2/c1-13(27-19-21-22-23-24(19)12-17-7-4-10-26-17)18(25)20-16-9-8-14-5-2-3-6-15(14)11-16/h2-11,13H,12H2,1H3,(H,20,25)
InChIKeyRTELJSPOTKYXGH-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.06
Rot. Bonds6

About N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 51244536) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID51244536
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC NameN-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1Cc1cccs1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N5OS2/c1-13(27-19-21-22-23-24(19)12-17-7-4-10-26-17)18(25)20-16-9-8-14-5-2-3-6-15(14)11-16/h2-11,13H,12H2,1H3,(H,20,25)
InChIKeyRTELJSPOTKYXGH-UHFFFAOYSA-N
XLogP4.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46649990
(2R)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 36987635
N-naphthalen-2-yl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropanamide
CID 60564109
N-prop-2-ynyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 47145688
2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
CID 46639630
N-(2-bromo-4-methylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46639627
N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259197
N-[(2-fluorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 86919369
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 41229890
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411
(2S)-N-(4-methylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41182860
(2S)-N-(3,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41183094

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (CID 51244536) is N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is CC(Sc1nnnn1Cc1cccs1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is RTELJSPOTKYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-13(27-19-21-22-23-24(19)12-17-7-4-10-26-17)18(25)20-16-9-8-14-5-2-3-6-15(14)11-16/h2-11,13H,12H2,1H3,(H,20,25).
What are the key properties of N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 395.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 51244536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).