N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

C26H24N6O2S — CID 55678109

IUPACN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(Nc1cccc(CN2CCCC2=O)c1)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C26H24N6O2S/c33-25-14-7-15-31(25)17-19-8-6-9-20(16-19)27-26(34)22-12-4-5-13-23(22)35-18-24-28-29-30-32(24)21-10-2-1-3-11-21/h1-6,8-13,16H,7,14-15,17-18H2,(H,27,34)
InChIKeyLLROCPZKPIKCAW-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.33
Rot. Bonds8

About N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55678109) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55678109
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC NameN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(Nc1cccc(CN2CCCC2=O)c1)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C26H24N6O2S/c33-25-14-7-15-31(25)17-19-8-6-9-20(16-19)27-26(34)22-12-4-5-13-23(22)35-18-24-28-29-30-32(24)21-10-2-1-3-11-21/h1-6,8-13,16H,7,14-15,17-18H2,(H,27,34)
InChIKeyLLROCPZKPIKCAW-UHFFFAOYSA-N
XLogP4.33
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405761
N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55523727
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 39913535
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 112795860
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55961384
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
(4-methylpiperidin-1-yl)-[2-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]methanone
CID 51217205
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55678109) is N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccccc1SCc1nnnn1-c1ccccc1.
What is the InChIKey of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is LLROCPZKPIKCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c33-25-14-7-15-31(25)17-19-8-6-9-20(16-19)27-26(34)22-12-4-5-13-23(22)35-18-24-28-29-30-32(24)21-10-2-1-3-11-21/h1-6,8-13,16H,7,14-15,17-18H2,(H,27,34).
What are the key properties of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 484.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55678109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).