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

C19H21N5O2S — CID 51259197

IUPACN-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1CC1CCCO1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H21N5O2S/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/h2-3,5-6,8-9,11,13,17H,4,7,10,12H2,1H3,(H,20,25)
InChIKeyDXJZRFKNXNBBSE-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.12
Rot. Bonds6

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

N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 51259197) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID51259197
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1CC1CCCO1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H21N5O2S/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/h2-3,5-6,8-9,11,13,17H,4,7,10,12H2,1H3,(H,20,25)
InChIKeyDXJZRFKNXNBBSE-UHFFFAOYSA-N
XLogP3.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259127
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640555
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9452665
N-(4-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640350
(2S)-N-(1,3-benzodioxol-5-yl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9453942
(2R)-N-(3-chloro-4-fluorophenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 40854441
(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 25471937
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 25471935
2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 16585657
(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41119437
N-benzyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640571
(2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 41077135

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (CID 51259197) is N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is CC(Sc1nnnn1CC1CCCO1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is DXJZRFKNXNBBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/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/h2-3,5-6,8-9,11,13,17H,4,7,10,12H2,1H3,(H,20,25).
What are the key properties of N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 383.48 g/mol, XLogP of 3.12, 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-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 51259197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).