N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide

C25H28N2O3S — CID 3542314

IUPACN-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc(C(c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C25H28N2O3S/c1-3-21-17-22(25(31-21)26-24(28)18-8-5-4-6-9-18)23(27-12-14-30-15-13-27)19-10-7-11-20(16-19)29-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,28)
InChIKeySIMSPAZRQXQDRW-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.99
Rot. Bonds7

About N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide

N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 3542314) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
PubChem CID3542314
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc(C(c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C25H28N2O3S/c1-3-21-17-22(25(31-21)26-24(28)18-8-5-4-6-9-18)23(27-12-14-30-15-13-27)19-10-7-11-20(16-19)29-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,28)
InChIKeySIMSPAZRQXQDRW-UHFFFAOYSA-N
XLogP4.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
2-mercapto-6-(3-methoxyphenyl)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1327115
N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855299
N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20855303
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
CID 4183341
3-ThiophenecarboxaMide, 2-[(aMinocarbonyl)aMino]-5-[2-[2-[Methyl(phenylMethyl)aMino]ethoxy]phenyl]-
CID 9954114
1-(3-Carbamoyl-5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)thiophen-2-yl)urea
CID 10221890
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11518244
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-4-ylcarbamoyl)thiophen-2-yl)urea
CID 11662575
(+/-)-1-(5-(3-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11676957
5-(3-Methoxyphenyl)-N-methyl-N-m-tolylthiophene-2-carboxamide
CID 60196810

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide (CID 3542314) is N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide is CCc1cc(C(c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The InChIKey is SIMSPAZRQXQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-3-21-17-22(25(31-21)26-24(28)18-8-5-4-6-9-18)23(27-12-14-30-15-13-27)19-10-7-11-20(16-19)29-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,28).
What are the key properties of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 3542314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).