N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

C18H20N8O3S2 — CID 55697525

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C18H20N8O3S2/c1-30-18-21-22-23-26(18)15-5-2-4-14(12-15)20-17(27)24-8-10-25(11-9-24)31(28,29)16-6-3-7-19-13-16/h2-7,12-13H,8-11H2,1H3,(H,20,27)
InChIKeyXCZZDYJYKCTHAS-UHFFFAOYSA-N
MW460.55 g/mol
LogP1.32
Rot. Bonds5

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55697525) has the molecular formula C18H20N8O3S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
PubChem CID55697525
Molecular FormulaC18H20N8O3S2
Molecular Weight460.55 g/mol
Exact Mass460.11
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C18H20N8O3S2/c1-30-18-21-22-23-26(18)15-5-2-4-14(12-15)20-17(27)24-8-10-25(11-9-24)31(28,29)16-6-3-7-19-13-16/h2-7,12-13H,8-11H2,1H3,(H,20,27)
InChIKeyXCZZDYJYKCTHAS-UHFFFAOYSA-N
XLogP1.32
TPSA126.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697524
4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583931
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55608919
4-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47050894
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 47033942
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 95786560
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide (CID 55697525) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide is CSc1nnnn1-c1cccc(NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is XCZZDYJYKCTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O3S2/c1-30-18-21-22-23-26(18)15-5-2-4-14(12-15)20-17(27)24-8-10-25(11-9-24)31(28,29)16-6-3-7-19-13-16/h2-7,12-13H,8-11H2,1H3,(H,20,27).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55697525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).