2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide

C19H20N6O2S — CID 55993734

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
SMILESCC(Sc1nnnn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H20N6O2S/c1-13(28-19-22-23-24-25(19)16-8-9-16)18(26)21-15-7-10-17(20-11-15)27-12-14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,21,26)
InChIKeyFGRSAWKPRJSSEN-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.10
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide (PubChem CID 55993734) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
PubChem CID55993734
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
SMILESCC(Sc1nnnn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H20N6O2S/c1-13(28-19-22-23-24-25(19)16-8-9-16)18(26)21-15-7-10-17(20-11-15)27-12-14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,21,26)
InChIKeyFGRSAWKPRJSSEN-UHFFFAOYSA-N
XLogP3.10
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)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

(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 52518791
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylsulfonylphenoxy)phenyl]propanamide
CID 97316941
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 16587948
N-(2-cyanophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 46642061
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 51244965
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,3-dichlorophenyl)propanamide
CID 51245048
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645485

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide (CID 55993734) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide is CC(Sc1nnnn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
The InChIKey is FGRSAWKPRJSSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-13(28-19-22-23-24-25(19)16-8-9-16)18(26)21-15-7-10-17(20-11-15)27-12-14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,21,26).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide has a molecular weight of 396.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 55993734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).