N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide

C12H15ClN2OS — CID 62668200

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
SMILESCC(CNC(=O)Cc1cccc(Cl)c1)C(N)=S
InChIInChI=1S/C12H15ClN2OS/c1-8(12(14)17)7-15-11(16)6-9-3-2-4-10(13)5-9/h2-5,8H,6-7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyUTQPLUFFNHWTAE-UHFFFAOYSA-N
MW270.78 g/mol
LogP1.92
Rot. Bonds5

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide (PubChem CID 62668200) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
PubChem CID62668200
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
SMILESCC(CNC(=O)Cc1cccc(Cl)c1)C(N)=S
InChIInChI=1S/C12H15ClN2OS/c1-8(12(14)17)7-15-11(16)6-9-3-2-4-10(13)5-9/h2-5,8H,6-7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyUTQPLUFFNHWTAE-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
CID 62666127
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
2-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503915
2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide (CID 62668200) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide is CC(CNC(=O)Cc1cccc(Cl)c1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide?
The InChIKey is UTQPLUFFNHWTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-8(12(14)17)7-15-11(16)6-9-3-2-4-10(13)5-9/h2-5,8H,6-7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide has a molecular weight of 270.78 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 62668200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).