N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

C18H25ClN6O3S2 — CID 43034765

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)Cn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN6O3S2/c1-13(2)11-25-18(21-22-23-25)29-12-17(26)20-16-10-14(6-7-15(16)19)30(27,28)24-8-4-3-5-9-24/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,20,26)
InChIKeyIEZGUXNOZDVXFN-UHFFFAOYSA-N
MW473.02 g/mol
LogP2.89
Rot. Bonds8

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 43034765) has the molecular formula C18H25ClN6O3S2 and a molecular weight of 473.02 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID43034765
Molecular FormulaC18H25ClN6O3S2
Molecular Weight473.02 g/mol
Exact Mass472.11
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)Cn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN6O3S2/c1-13(2)11-25-18(21-22-23-25)29-12-17(26)20-16-10-14(6-7-15(16)19)30(27,28)24-8-4-3-5-9-24/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,20,26)
InChIKeyIEZGUXNOZDVXFN-UHFFFAOYSA-N
XLogP2.89
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4086709
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4838513
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3471694
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5167083
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 16543235
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 41190354
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(benzotriazol-1-yl)acetamide
CID 17415444
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795150
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16537152

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (CID 43034765) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is CC(C)Cn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is IEZGUXNOZDVXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O3S2/c1-13(2)11-25-18(21-22-23-25)29-12-17(26)20-16-10-14(6-7-15(16)19)30(27,28)24-8-4-3-5-9-24/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,20,26).
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 473.02 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 43034765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).