3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide

C13H17N5OS — CID 47318483

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCn1nnnc1SCCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H17N5OS/c1-18-13(15-16-17-18)20-10-8-12(19)14-9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,19)
InChIKeyWOULMTKEWOUUQA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.05
Rot. Bonds7

About 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide

3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 47318483) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
PubChem CID47318483
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCn1nnnc1SCCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H17N5OS/c1-18-13(15-16-17-18)20-10-8-12(19)14-9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,19)
InChIKeyWOULMTKEWOUUQA-UHFFFAOYSA-N
XLogP1.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)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

3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51126582
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide
CID 94645213
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55913014
3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 71866653
N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 134717169
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 47353750
3-(1-methyltetrazol-5-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 42930160
methyl (3S)-3-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]-3-phenylpropanoate
CID 94645364
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594453
4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
3-[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)purin-8-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 50841567

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide (CID 47318483) is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide is Cn1nnnc1SCCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is WOULMTKEWOUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-18-13(15-16-17-18)20-10-8-12(19)14-9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,19).
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide?
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 1.05, 7 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 47318483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).