4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

C21H23N7O2S — CID 47033942

IUPAC4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N7O2S/c1-31-21-24-25-26-28(21)18-9-5-8-17(14-18)23-20(30)27-12-10-16(11-13-27)22-19(29)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,22,29)(H,23,30)
InChIKeyNHAJBLJFEOSUDL-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.81
Rot. Bonds5

About 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 47033942) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID47033942
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N7O2S/c1-31-21-24-25-26-28(21)18-9-5-8-17(14-18)23-20(30)27-12-10-16(11-13-27)22-19(29)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,22,29)(H,23,30)
InChIKeyNHAJBLJFEOSUDL-UHFFFAOYSA-N
XLogP2.81
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697524
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
4-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47050894
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 55697965

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (CID 47033942) is 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is CSc1nnnn1-c1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is NHAJBLJFEOSUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-31-21-24-25-26-28(21)18-9-5-8-17(14-18)23-20(30)27-12-10-16(11-13-27)22-19(29)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H,22,29)(H,23,30).
What are the key properties of 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 47033942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).