4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

C24H28N6O3S — CID 55584640

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)c1
InChIInChI=1S/C24H28N6O3S/c1-16-6-4-7-17(2)29(16)22(31)15-33-21-12-10-18(11-13-21)23(32)25-19-8-5-9-20(14-19)30-24(34-3)26-27-28-30/h5,8-14,16-17H,4,6-7,15H2,1-3H3,(H,25,32)
InChIKeySGYNFABNOGVFTE-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.80
Rot. Bonds7

About 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (PubChem CID 55584640) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
PubChem CID55584640
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)c1
InChIInChI=1S/C24H28N6O3S/c1-16-6-4-7-17(2)29(16)22(31)15-33-21-12-10-18(11-13-21)23(32)25-19-8-5-9-20(14-19)30-24(34-3)26-27-28-30/h5,8-14,16-17H,4,6-7,15H2,1-3H3,(H,25,32)
InChIKeySGYNFABNOGVFTE-UHFFFAOYSA-N
XLogP3.80
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55870096
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]prop-2-enamide
CID 56509158
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 24659652
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 47016422
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39127304
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 55635303

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (CID 55584640) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is CSc1nnnn1-c1cccc(NC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)c1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is SGYNFABNOGVFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-16-6-4-7-17(2)29(16)22(31)15-33-21-12-10-18(11-13-21)23(32)25-19-8-5-9-20(14-19)30-24(34-3)26-27-28-30/h5,8-14,16-17H,4,6-7,15H2,1-3H3,(H,25,32).
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55584640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).