N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide

C17H19N5OS2 — CID 87046366

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
SMILESCCc1ccc(CNC(=O)CSCc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C17H19N5OS2/c1-2-14-8-9-15(25-14)10-18-17(23)12-24-11-16-19-20-21-22(16)13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,18,23)
InChIKeyQECSQYIRUJIIRH-UHFFFAOYSA-N
MW373.51 g/mol
LogP2.84
Rot. Bonds8

About N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide

N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide (PubChem CID 87046366) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
PubChem CID87046366
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
SMILESCCc1ccc(CNC(=O)CSCc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C17H19N5OS2/c1-2-14-8-9-15(25-14)10-18-17(23)12-24-11-16-19-20-21-22(16)13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,18,23)
InChIKeyQECSQYIRUJIIRH-UHFFFAOYSA-N
XLogP2.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 43049377
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 78815853
N-(3-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 46572374
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanamide
CID 42885871
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoic acid
CID 21295412
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-prop-2-enylpropanamide
CID 42892245
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 47888416

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide (CID 87046366) is N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide is CCc1ccc(CNC(=O)CSCc2nnnn2-c2ccccc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is QECSQYIRUJIIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-2-14-8-9-15(25-14)10-18-17(23)12-24-11-16-19-20-21-22(16)13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,18,23).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 373.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 87046366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).