N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide

C11H13FN2OS — CID 62666877

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
SMILESNC(=S)CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-8(2-4-9)7-11(15)14-6-5-10(13)16/h1-4H,5-7H2,(H2,13,16)(H,14,15)
InChIKeyPEJSALQBFLZOND-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.16
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide (PubChem CID 62666877) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
PubChem CID62666877
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
SMILESNC(=S)CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-8(2-4-9)7-11(15)14-6-5-10(13)16/h1-4H,5-7H2,(H2,13,16)(H,14,15)
InChIKeyPEJSALQBFLZOND-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.16
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-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
N-(2-aminooxyethyl)-2-(4-fluorophenyl)acetamide
CID 39243053
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
CID 106237086
6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
CID 10595892
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide (CID 62666877) is N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide is NC(=S)CCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is PEJSALQBFLZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-3-1-8(2-4-9)7-11(15)14-6-5-10(13)16/h1-4H,5-7H2,(H2,13,16)(H,14,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 240.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 62666877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).