N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide

C20H24N6OS — CID 51969392

IUPACN-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide
SMILESCC1CCN([C@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2cccs2)CC1
InChIInChI=1S/C20H24N6OS/c1-15-7-9-25(10-8-15)18(19-6-3-11-28-19)13-21-20(27)16-4-2-5-17(12-16)26-14-22-23-24-26/h2-6,11-12,14-15,18H,7-10,13H2,1H3,(H,21,27)/t18-/m1/s1
InChIKeyBWUPVXYQUOUQQX-GOSISDBHSA-N
MW396.52 g/mol
LogP2.93
Rot. Bonds6

About N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide

N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51969392) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51969392
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide
SMILESCC1CCN([C@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2cccs2)CC1
InChIInChI=1S/C20H24N6OS/c1-15-7-9-25(10-8-15)18(19-6-3-11-28-19)13-21-20(27)16-4-2-5-17(12-16)26-14-22-23-24-26/h2-6,11-12,14-15,18H,7-10,13H2,1H3,(H,21,27)/t18-/m1/s1
InChIKeyBWUPVXYQUOUQQX-GOSISDBHSA-N
XLogP2.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 167959073
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472228
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472231
3-hydroxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-nitrobenzamide
CID 24639919
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
4-chloro-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 8781620
1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 30523873
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 25495794

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide (CID 51969392) is N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide is CC1CCN([C@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2cccs2)CC1.
What is the InChIKey of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is BWUPVXYQUOUQQX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-15-7-9-25(10-8-15)18(19-6-3-11-28-19)13-21-20(27)16-4-2-5-17(12-16)26-14-22-23-24-26/h2-6,11-12,14-15,18H,7-10,13H2,1H3,(H,21,27)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide?
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 396.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51969392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).