5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide

C21H27N3O4S — CID 48626846

IUPAC5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2cccc(OCCN3CCOCC3)c2)s1
InChIInChI=1S/C21H27N3O4S/c1-16-5-6-19(29-16)21(26)23-15-20(25)22-14-17-3-2-4-18(13-17)28-12-9-24-7-10-27-11-8-24/h2-6,13H,7-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyCQLXMSMVAJRCEG-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.81
Rot. Bonds9

About 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 48626846) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID48626846
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2cccc(OCCN3CCOCC3)c2)s1
InChIInChI=1S/C21H27N3O4S/c1-16-5-6-19(29-16)21(26)23-15-20(25)22-14-17-3-2-4-18(13-17)28-12-9-24-7-10-27-11-8-24/h2-6,13H,7-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyCQLXMSMVAJRCEG-UHFFFAOYSA-N
XLogP1.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
5-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 47900151
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 48626554
1-(4-bromo-2-methylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60589914
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
3-(2-fluorophenyl)sulfanyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48693432

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 48626846) is 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCc2cccc(OCCN3CCOCC3)c2)s1.
What is the InChIKey of 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CQLXMSMVAJRCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-5-6-19(29-16)21(26)23-15-20(25)22-14-17-3-2-4-18(13-17)28-12-9-24-7-10-27-11-8-24/h2-6,13H,7-12,14-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 48626846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).