3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide

C16H20N2O2S2 — CID 3998876

IUPAC3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H20N2O2S2/c1-12-4-10-22-15(12)16(19)17-11-13(14-3-2-9-21-14)18-5-7-20-8-6-18/h2-4,9-10,13H,5-8,11H2,1H3,(H,17,19)
InChIKeyQZVILMQVTMTGBR-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.92
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide

3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 3998876) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID3998876
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H20N2O2S2/c1-12-4-10-22-15(12)16(19)17-11-13(14-3-2-9-21-14)18-5-7-20-8-6-18/h2-4,9-10,13H,5-8,11H2,1H3,(H,17,19)
InChIKeyQZVILMQVTMTGBR-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
CID 11544608
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2-methoxy-ethyl)-carbamoyl]-methyl}-amide
CID 649267
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
4-Methyl-N-[1-(3-morpholin-4-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2131946

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 3998876) is 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is QZVILMQVTMTGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-4-10-22-15(12)16(19)17-11-13(14-3-2-9-21-14)18-5-7-20-8-6-18/h2-4,9-10,13H,5-8,11H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3998876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).