N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C15H19N5OS — CID 4535663

IUPACN-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19N5OS/c1-11(14(21)16-12-7-5-6-8-12)22-15-17-18-19-20(15)13-9-3-2-4-10-13/h2-4,9-12H,5-8H2,1H3,(H,16,21)
InChIKeyDDLUGAIIYHHFED-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.20
Rot. Bonds5

About N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 4535663) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID4535663
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19N5OS/c1-11(14(21)16-12-7-5-6-8-12)22-15-17-18-19-20(15)13-9-3-2-4-10-13/h2-4,9-12H,5-8H2,1H3,(H,16,21)
InChIKeyDDLUGAIIYHHFED-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 1224972
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 4535663) is N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is DDLUGAIIYHHFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(14(21)16-12-7-5-6-8-12)22-15-17-18-19-20(15)13-9-3-2-4-10-13/h2-4,9-12H,5-8H2,1H3,(H,16,21).
What are the key properties of N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 317.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 4535663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).