N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C21H24N6O3S2 — CID 55608919

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H24N6O3S2/c1-31-21-23-24-25-27(21)18-7-5-6-17(15-18)22-20(28)14-16-8-10-19(11-9-16)32(29,30)26-12-3-2-4-13-26/h5-11,15H,2-4,12-14H2,1H3,(H,22,28)
InChIKeyLHRCOXCFOKVCLI-UHFFFAOYSA-N
MW472.60 g/mol
LogP2.74
Rot. Bonds7

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55608919) has the molecular formula C21H24N6O3S2 and a molecular weight of 472.60 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55608919
Molecular FormulaC21H24N6O3S2
Molecular Weight472.60 g/mol
Exact Mass472.14
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H24N6O3S2/c1-31-21-23-24-25-27(21)18-7-5-6-17(15-18)22-20(28)14-16-8-10-19(11-9-16)32(29,30)26-12-3-2-4-13-26/h5-11,15H,2-4,12-14H2,1H3,(H,22,28)
InChIKeyLHRCOXCFOKVCLI-UHFFFAOYSA-N
XLogP2.74
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052
3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide
CID 55609222
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55566421
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55825158
N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46479604
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697524

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 55608919) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is CSc1nnnn1-c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is LHRCOXCFOKVCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S2/c1-31-21-23-24-25-27(21)18-7-5-6-17(15-18)22-20(28)14-16-8-10-19(11-9-16)32(29,30)26-12-3-2-4-13-26/h5-11,15H,2-4,12-14H2,1H3,(H,22,28).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 472.60 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55608919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).