N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide

C18H21N3O2S — CID 111497107

IUPACN-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1sccc1C#N)CC(O)c1ccc(C)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-21(11-16(22)14-6-4-13(2)5-7-14)12-17(23)20-18-15(10-19)8-9-24-18/h4-9,16,22H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyVOKMXPUDSDZDLJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.92
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide (PubChem CID 111497107) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
PubChem CID111497107
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1sccc1C#N)CC(O)c1ccc(C)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-21(11-16(22)14-6-4-13(2)5-7-14)12-17(23)20-18-15(10-19)8-9-24-18/h4-9,16,22H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyVOKMXPUDSDZDLJ-UHFFFAOYSA-N
XLogP2.92
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838489
N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111107846
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111490028
N-(3-cyanothiophen-2-yl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393472
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 4855852
N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111489945
N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497113
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
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
CID 111489932
N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 9392522

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide (CID 111497107) is N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide is CCN(CC(=O)Nc1sccc1C#N)CC(O)c1ccc(C)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The InChIKey is VOKMXPUDSDZDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-21(11-16(22)14-6-4-13(2)5-7-14)12-17(23)20-18-15(10-19)8-9-24-18/h4-9,16,22H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 111497107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).