2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide

C15H19N5O2S — CID 56817067

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)SCc1nnnn1C1CC1
InChIInChI=1S/C15H19N5O2S/c1-10(15(21)16-12-5-3-4-6-13(12)22-2)23-9-14-17-18-19-20(14)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,21)
InChIKeyHNZVZBVCPVKWMM-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.28
Rot. Bonds7

About 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide

2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 56817067) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
PubChem CID56817067
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)SCc1nnnn1C1CC1
InChIInChI=1S/C15H19N5O2S/c1-10(15(21)16-12-5-3-4-6-13(12)22-2)23-9-14-17-18-19-20(14)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,21)
InChIKeyHNZVZBVCPVKWMM-UHFFFAOYSA-N
XLogP2.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)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

(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide
CID 94192936
3-[(1-cyclopropyltetrazol-5-yl)methoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 36569080
(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 52518791
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
CID 30295899
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 9026635
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
2-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82180832
2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82181810
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide (CID 56817067) is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)SCc1nnnn1C1CC1.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is HNZVZBVCPVKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10(15(21)16-12-5-3-4-6-13(12)22-2)23-9-14-17-18-19-20(14)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,21).
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide?
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 333.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 56817067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).