N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide

C12H14Cl2N2OS — CID 63045790

IUPACN-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide
SMILESCCN(CC(N)=S)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2OS/c1-2-16(7-11(15)18)12(17)6-8-3-4-9(13)10(14)5-8/h3-5H,2,6-7H2,1H3,(H2,15,18)
InChIKeyFEKOXOJMPKNVNY-UHFFFAOYSA-N
MW305.23 g/mol
LogP2.67
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide

N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide (PubChem CID 63045790) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide
PubChem CID63045790
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide
SMILESCCN(CC(N)=S)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2OS/c1-2-16(7-11(15)18)12(17)6-8-3-4-9(13)10(14)5-8/h3-5H,2,6-7H2,1H3,(H2,15,18)
InChIKeyFEKOXOJMPKNVNY-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114873
2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 107433699
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
2-[4-(3,4-dichlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205864
2-(3,4-dichlorophenyl)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethylacetamide
CID 9094568
2-(3,4-dichlorophenyl)-N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethylacetamide
CID 9094565
N-(3-carbamothioylpentan-3-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63045274
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-ethyl-4-fluorobenzamide
CID 82875675
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide (CID 63045790) is N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide is CCN(CC(N)=S)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide?
The InChIKey is FEKOXOJMPKNVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c1-2-16(7-11(15)18)12(17)6-8-3-4-9(13)10(14)5-8/h3-5H,2,6-7H2,1H3,(H2,15,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide has a molecular weight of 305.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide is sourced from PubChem (CID 63045790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).