N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide

C15H17N3O2S — CID 51095132

IUPACN,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccccc1SCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C15H17N3O2S/c1-20-13-6-2-3-7-14(13)21-12-15(19)18(10-4-8-16)11-5-9-17/h2-3,6-7H,4-5,10-12H2,1H3
InChIKeyXQPYNUPGBYSDOJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.44
Rot. Bonds8

About N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide

N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide (PubChem CID 51095132) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide
PubChem CID51095132
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccccc1SCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C15H17N3O2S/c1-20-13-6-2-3-7-14(13)21-12-15(19)18(10-4-8-16)11-5-9-17/h2-3,6-7H,4-5,10-12H2,1H3
InChIKeyXQPYNUPGBYSDOJ-UHFFFAOYSA-N
XLogP2.44
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 30422819
N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 8786837
N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide
CID 17385990
N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 54790706
4-[2-(2-methoxyphenyl)sulfanylacetyl]benzonitrile
CID 61290551
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7754877
3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
CID 61116679
N,N-bis(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7170626
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
methyl 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]amino]-2-phenylacetate
CID 122157295
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
N,N-bis(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7239859

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide (CID 51095132) is N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide is COc1ccccc1SCC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide?
The InChIKey is XQPYNUPGBYSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-13-6-2-3-7-14(13)21-12-15(19)18(10-4-8-16)11-5-9-17/h2-3,6-7H,4-5,10-12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide?
N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide has a molecular weight of 303.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 51095132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).