N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide

C11H12Cl2N2OS — CID 63044929

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=S
InChIInChI=1S/C11H12Cl2N2OS/c1-6(11(14)17)15-10(16)5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVQKOAGLZZHLWFA-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.33
Rot. Bonds4

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 63044929) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID63044929
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=S
InChIInChI=1S/C11H12Cl2N2OS/c1-6(11(14)17)15-10(16)5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVQKOAGLZZHLWFA-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.33
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-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
CID 78773290
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 77039237
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 61122804
N-(3-carbamothioylpentan-3-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63045274
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 7948932
butyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]butanoate
CID 67636937
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide (CID 63044929) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide is CC(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is VQKOAGLZZHLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c1-6(11(14)17)15-10(16)5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 291.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 63044929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).