N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide

C12H15ClN2O2S — CID 62666128

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(CNC(=O)COc1ccc(Cl)cc1)C(N)=S
InChIInChI=1S/C12H15ClN2O2S/c1-8(12(14)18)6-15-11(16)7-17-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyNBFYANPDJGBBQP-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.76
Rot. Bonds6

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 62666128) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
PubChem CID62666128
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(CNC(=O)COc1ccc(Cl)cc1)C(N)=S
InChIInChI=1S/C12H15ClN2O2S/c1-8(12(14)18)6-15-11(16)7-17-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyNBFYANPDJGBBQP-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.76
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-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119237353
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(2-chloro-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113272098
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113274546
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide (CID 62666128) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide is CC(CNC(=O)COc1ccc(Cl)cc1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is NBFYANPDJGBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-8(12(14)18)6-15-11(16)7-17-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 286.78 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 62666128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).