N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide

C20H24N2O3S — CID 91776302

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O3S/c23-17-12-15(13-17)19(18-2-1-11-26-18)21-20(24)14-3-5-16(6-4-14)22-7-9-25-10-8-22/h1-6,11,15,17,19,23H,7-10,12-13H2,(H,21,24)
InChIKeyLUJVKDIVWJMRBA-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.83
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide (PubChem CID 91776302) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
PubChem CID91776302
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O3S/c23-17-12-15(13-17)19(18-2-1-11-26-18)21-20(24)14-3-5-16(6-4-14)22-7-9-25-10-8-22/h1-6,11,15,17,19,23H,7-10,12-13H2,(H,21,24)
InChIKeyLUJVKDIVWJMRBA-UHFFFAOYSA-N
XLogP2.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
CID 91762894
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide
CID 91778738
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-morpholin-4-ylbenzamide
CID 92627391
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 134161547
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91779274
5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91795552
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
CID 126855328

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide (CID 91776302) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide is O=C(NC(c1cccs1)C1CC(O)C1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide?
The InChIKey is LUJVKDIVWJMRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-17-12-15(13-17)19(18-2-1-11-26-18)21-20(24)14-3-5-16(6-4-14)22-7-9-25-10-8-22/h1-6,11,15,17,19,23H,7-10,12-13H2,(H,21,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 91776302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).