3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide

C16H21N5OS — CID 167983830

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
SMILESCn1nnnc1SCCC(=O)NC1CCCCc2ccccc21
InChIInChI=1S/C16H21N5OS/c1-21-16(18-19-20-21)23-11-10-15(22)17-14-9-5-3-7-12-6-2-4-8-13(12)14/h2,4,6,8,14H,3,5,7,9-11H2,1H3,(H,17,22)
InChIKeyLAEWGZXOSMEUIW-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.28
Rot. Bonds5

About 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide

3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide (PubChem CID 167983830) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
PubChem CID167983830
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
SMILESCn1nnnc1SCCC(=O)NC1CCCCc2ccccc21
InChIInChI=1S/C16H21N5OS/c1-21-16(18-19-20-21)23-11-10-15(22)17-14-9-5-3-7-12-6-2-4-8-13(12)14/h2,4,6,8,14H,3,5,7,9-11H2,1H3,(H,17,22)
InChIKeyLAEWGZXOSMEUIW-UHFFFAOYSA-N
XLogP2.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide 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-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 51088766
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 51092567
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 27143712
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 7876686
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95293549
3-[methyl(2-methylsulfanylethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71855495
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide (CID 167983830) is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide is Cn1nnnc1SCCC(=O)NC1CCCCc2ccccc21.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
The InChIKey is LAEWGZXOSMEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-21-16(18-19-20-21)23-11-10-15(22)17-14-9-5-3-7-12-6-2-4-8-13(12)14/h2,4,6,8,14H,3,5,7,9-11H2,1H3,(H,17,22).
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide has a molecular weight of 331.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide is sourced from PubChem (CID 167983830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).