3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide

C19H21N5O2S — CID 55735949

IUPAC3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(Cc2cccs2)CC2CCCO2)ccc1-n1cnnn1
InChIInChI=1S/C19H21N5O2S/c1-14-10-15(6-7-18(14)24-13-20-21-22-24)19(25)23(11-16-4-2-8-26-16)12-17-5-3-9-27-17/h3,5-7,9-10,13,16H,2,4,8,11-12H2,1H3
InChIKeyITUDUYHSPLZTQF-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.85
Rot. Bonds6

About 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide

3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55735949) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55735949
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(Cc2cccs2)CC2CCCO2)ccc1-n1cnnn1
InChIInChI=1S/C19H21N5O2S/c1-14-10-15(6-7-18(14)24-13-20-21-22-24)19(25)23(11-16-4-2-8-26-16)12-17-5-3-9-27-17/h3,5-7,9-10,13,16H,2,4,8,11-12H2,1H3
InChIKeyITUDUYHSPLZTQF-UHFFFAOYSA-N
XLogP2.85
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 51981233
2-(2,5-dimethylphenyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 55389170
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
CID 99940406
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134051172
4-(1,3-dithian-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78810036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 55735949) is 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide is Cc1cc(C(=O)N(Cc2cccs2)CC2CCCO2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ITUDUYHSPLZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14-10-15(6-7-18(14)24-13-20-21-22-24)19(25)23(11-16-4-2-8-26-16)12-17-5-3-9-27-17/h3,5-7,9-10,13,16H,2,4,8,11-12H2,1H3.
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 383.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55735949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).