N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

C14H18N4O3S — CID 8711621

IUPACN-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCN(CC(=O)Nc1sccc1C#N)CC(=O)N1CCOCC1
InChIInChI=1S/C14H18N4O3S/c1-17(10-13(20)18-3-5-21-6-4-18)9-12(19)16-14-11(8-15)2-7-22-14/h2,7H,3-6,9-10H2,1H3,(H,16,19)
InChIKeyFECFXDKVDOGVNF-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.35
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (PubChem CID 8711621) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
PubChem CID8711621
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCN(CC(=O)Nc1sccc1C#N)CC(=O)N1CCOCC1
InChIInChI=1S/C14H18N4O3S/c1-17(10-13(20)18-3-5-21-6-4-18)9-12(19)16-14-11(8-15)2-7-22-14/h2,7H,3-6,9-10H2,1H3,(H,16,19)
InChIKeyFECFXDKVDOGVNF-UHFFFAOYSA-N
XLogP0.35
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442383
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
N-(3-cyanothiophen-2-yl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692603
ethyl 3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011639
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide
CID 140720499
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9198259
N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015152
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
N-(2-benzoylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711533
N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916
N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111107846

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (CID 8711621) is N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is CN(CC(=O)Nc1sccc1C#N)CC(=O)N1CCOCC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The InChIKey is FECFXDKVDOGVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-17(10-13(20)18-3-5-21-6-4-18)9-12(19)16-14-11(8-15)2-7-22-14/h2,7H,3-6,9-10H2,1H3,(H,16,19).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 8711621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).