3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide

C20H25N3O3S — CID 24983120

IUPAC3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C20H25N3O3S/c1-15-4-2-5-16(12-15)20(25)22-14-19(24)21-13-17(18-6-3-11-27-18)23-7-9-26-10-8-23/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyVKRRPYHGDMQZEF-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.98
Rot. Bonds7

About 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide

3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 24983120) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
PubChem CID24983120
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C20H25N3O3S/c1-15-4-2-5-16(12-15)20(25)22-14-19(24)21-13-17(18-6-3-11-27-18)23-7-9-26-10-8-23/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyVKRRPYHGDMQZEF-UHFFFAOYSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-5-phenylthiophene-2-carboxamide
CID 10303894
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
CID 122196547
CID 122196547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide (CID 24983120) is 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide is Cc1cccc(C(=O)NCC(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is VKRRPYHGDMQZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-4-2-5-16(12-15)20(25)22-14-19(24)21-13-17(18-6-3-11-27-18)23-7-9-26-10-8-23/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 387.51 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24983120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).