N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C17H18ClN3OS — CID 41303395

IUPACN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccsc1
InChIInChI=1S/C17H18ClN3OS/c1-20(11-14-6-9-23-13-14)12-17(22)21(8-3-7-19)16-5-2-4-15(18)10-16/h2,4-6,9-10,13H,3,8,11-12H2,1H3
InChIKeyZYPSCTOGBFAVSV-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.78
Rot. Bonds7

About N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 41303395) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID41303395
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC NameN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccsc1
InChIInChI=1S/C17H18ClN3OS/c1-20(11-14-6-9-23-13-14)12-17(22)21(8-3-7-19)16-5-2-4-15(18)10-16/h2,4-6,9-10,13H,3,8,11-12H2,1H3
InChIKeyZYPSCTOGBFAVSV-UHFFFAOYSA-N
XLogP3.78
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanoethyl)-N-phenylacetamide
CID 55739001
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925838
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328115
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 29357817
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide
CID 2469813
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 41215375
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55502060
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 60570053
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide
CID 9054891

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 41303395) is N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccsc1.
What is the InChIKey of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is ZYPSCTOGBFAVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-20(11-14-6-9-23-13-14)12-17(22)21(8-3-7-19)16-5-2-4-15(18)10-16/h2,4-6,9-10,13H,3,8,11-12H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 347.87 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 41303395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).