N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide

C18H21N3OS — CID 51271554

IUPACN-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide
SMILESCC(c1cccs1)N(C)CC(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C18H21N3OS/c1-15(17-10-6-13-23-17)20(2)14-18(22)21(12-7-11-19)16-8-4-3-5-9-16/h3-6,8-10,13,15H,7,12,14H2,1-2H3
InChIKeyDSQUVIAZDOTMFA-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.69
Rot. Bonds7

About N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide

N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide (PubChem CID 51271554) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide
PubChem CID51271554
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide
SMILESCC(c1cccs1)N(C)CC(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C18H21N3OS/c1-15(17-10-6-13-23-17)20(2)14-18(22)21(12-7-11-19)16-8-4-3-5-9-16/h3-6,8-10,13,15H,7,12,14H2,1-2H3
InChIKeyDSQUVIAZDOTMFA-UHFFFAOYSA-N
XLogP3.69
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanoethyl)-N-phenylacetamide
CID 55739001
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
CID 60570475
N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide
CID 86993417
3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
CID 61093926
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
3-[3-[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]indol-1-yl]propanenitrile
CID 78827612
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207
N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
CID 104554133

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide (CID 51271554) is N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide is CC(c1cccs1)N(C)CC(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide?
The InChIKey is DSQUVIAZDOTMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-15(17-10-6-13-23-17)20(2)14-18(22)21(12-7-11-19)16-8-4-3-5-9-16/h3-6,8-10,13,15H,7,12,14H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide?
N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide has a molecular weight of 327.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 51271554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).