N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide

C19H26N6O2S — CID 24667835

IUPACN-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)c1ccc(-n2nnnc2SCCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H26N6O2S/c1-13(2)14-7-9-16(10-8-14)25-19(22-23-24-25)28-12-11-17(26)21-18(27)20-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,20,21,26,27)
InChIKeySNURNFYWYOIJHO-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.04
Rot. Bonds7

About N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 24667835) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID24667835
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC NameN-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)c1ccc(-n2nnnc2SCCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H26N6O2S/c1-13(2)14-7-9-16(10-8-14)25-19(22-23-24-25)28-12-11-17(26)21-18(27)20-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,20,21,26,27)
InChIKeySNURNFYWYOIJHO-UHFFFAOYSA-N
XLogP3.04
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-cyclopentyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7713686
N-(3-methylbutylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8658997
N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 27139236
4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1071313
1-(4-methylpiperidin-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7713616
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8804398
N-cyclohexyl-N-ethyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713613
(2S)-N-cyclopropyl-2-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8915841
N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804399
N-(2-cyclopentylpyrazol-3-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659076
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
4-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931394

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 24667835) is N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide is CC(C)c1ccc(-n2nnnc2SCCC(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is SNURNFYWYOIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-13(2)14-7-9-16(10-8-14)25-19(22-23-24-25)28-12-11-17(26)21-18(27)20-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,20,21,26,27).
What are the key properties of N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 402.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 24667835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).