N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide

C20H26N2O2S — CID 7124138

IUPACN-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CN2C[C@@H](C)O[C@H](C)C2)c1C
InChIInChI=1S/C20H26N2O2S/c1-13-10-22(11-14(2)24-13)12-18-15(3)16(4)25-20(18)21-19(23)17-8-6-5-7-9-17/h5-9,13-14H,10-12H2,1-4H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyZJNRPIARPYQOCU-ZIAGYGMSSA-N
MW358.51 g/mol
LogP4.23
Rot. Bonds4

About N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 7124138) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID7124138
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(CN2C[C@@H](C)O[C@H](C)C2)c1C
InChIInChI=1S/C20H26N2O2S/c1-13-10-22(11-14(2)24-13)12-18-15(3)16(4)25-20(18)21-19(23)17-8-6-5-7-9-17/h5-9,13-14H,10-12H2,1-4H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyZJNRPIARPYQOCU-ZIAGYGMSSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide with MolForge

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Related Compounds

N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
CID 5158950
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1034327
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
N-[3-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxyphenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1178728
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-2-phenylacetic acid
CID 124690072
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 124627933
N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 7124138) is N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(CN2C[C@@H](C)O[C@H](C)C2)c1C.
What is the InChIKey of N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is ZJNRPIARPYQOCU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-13-10-22(11-14(2)24-13)12-18-15(3)16(4)25-20(18)21-19(23)17-8-6-5-7-9-17/h5-9,13-14H,10-12H2,1-4H3,(H,21,23)/t13-,14-/m1/s1.
What are the key properties of N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 358.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 7124138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).