2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide

C20H25NO2S — CID 126855328

IUPAC2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NC(c2cccs2)C2CCOCC2)c(C)c1
InChIInChI=1S/C20H25NO2S/c1-13-11-14(2)18(15(3)12-13)20(22)21-19(17-5-4-10-24-17)16-6-8-23-9-7-16/h4-5,10-12,16,19H,6-9H2,1-3H3,(H,21,22)
InChIKeyAJCPCICBJZCCLL-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.57
Rot. Bonds4

About 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide

2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide (PubChem CID 126855328) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
PubChem CID126855328
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NC(c2cccs2)C2CCOCC2)c(C)c1
InChIInChI=1S/C20H25NO2S/c1-13-11-14(2)18(15(3)12-13)20(22)21-19(17-5-4-10-24-17)16-6-8-23-9-7-16/h4-5,10-12,16,19H,6-9H2,1-3H3,(H,21,22)
InChIKeyAJCPCICBJZCCLL-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-[oxan-4-yl(thiophen-2-yl)methyl]urea
CID 134161746
N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126853665
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 134161547
3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide
CID 134161548
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 126853656
N-[oxan-4-yl(thiophen-2-yl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 134161833
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087338
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide (CID 126855328) is 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide is Cc1cc(C)c(C(=O)NC(c2cccs2)C2CCOCC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide?
The InChIKey is AJCPCICBJZCCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-13-11-14(2)18(15(3)12-13)20(22)21-19(17-5-4-10-24-17)16-6-8-23-9-7-16/h4-5,10-12,16,19H,6-9H2,1-3H3,(H,21,22).
What are the key properties of 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide?
2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide has a molecular weight of 343.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 126855328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).