N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide

C11H14N2O2S — CID 61127076

IUPACN-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H14N2O2S/c1-15-9-4-2-8(3-5-9)6-11(14)13-7-10(12)16/h2-5H,6-7H2,1H3,(H2,12,16)(H,13,14)
InChIKeyGYZBTJIICZPZQG-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.64
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide

N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 61127076) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID61127076
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H14N2O2S/c1-15-9-4-2-8(3-5-9)6-11(14)13-7-10(12)16/h2-5H,6-7H2,1H3,(H2,12,16)(H,13,14)
InChIKeyGYZBTJIICZPZQG-UHFFFAOYSA-N
XLogP0.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-3-(4-methoxyphenyl)propanamide
CID 61127665
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide
CID 61127296
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 9224356
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201254
N-(2-amino-2-sulfanylideneethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114372
2-(4-hydroxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 122191191
2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 108798758
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide (CID 61127076) is N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(N)=S)cc1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is GYZBTJIICZPZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-15-9-4-2-8(3-5-9)6-11(14)13-7-10(12)16/h2-5H,6-7H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide?
N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 238.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 61127076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).