N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

C18H21N3OS — CID 9028916

IUPACN-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C18H21N3OS/c1-13(2)15-6-4-14(5-7-15)11-21(3)12-17(22)20-18-16(10-19)8-9-23-18/h4-9,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyYNELYSJKSIUSPE-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.81
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (PubChem CID 9028916) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
PubChem CID9028916
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C18H21N3OS/c1-13(2)15-6-4-14(5-7-15)11-21(3)12-17(22)20-18-16(10-19)8-9-23-18/h4-9,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyYNELYSJKSIUSPE-UHFFFAOYSA-N
XLogP3.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (CID 9028916) is N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is CC(C)c1ccc(CN(C)CC(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The InChIKey is YNELYSJKSIUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13(2)15-6-4-14(5-7-15)11-21(3)12-17(22)20-18-16(10-19)8-9-23-18/h4-9,13H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 9028916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).