N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

C16H21N5O2S — CID 16649520

IUPACN-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2nnnc2SCCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-23-14-8-6-13(7-9-14)21-16(18-19-20-21)24-11-10-15(22)17-12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,22)
InChIKeyMNANWNWTTRTZNK-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.21
Rot. Bonds7

About N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 16649520) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID16649520
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2nnnc2SCCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-23-14-8-6-13(7-9-14)21-16(18-19-20-21)24-11-10-15(22)17-12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,22)
InChIKeyMNANWNWTTRTZNK-UHFFFAOYSA-N
XLogP2.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
CID 1263400
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
1-[2-[1-(2-Methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 24818352
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 2024579
3-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2945197
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 16649520) is N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is COc1ccc(-n2nnnc2SCCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is MNANWNWTTRTZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-23-14-8-6-13(7-9-14)21-16(18-19-20-21)24-11-10-15(22)17-12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,22).
What are the key properties of N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 347.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 16649520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).