N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide

C11H11F3N2OS — CID 62665548

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
SMILESNC(=S)CCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)8-4-2-1-3-7(8)10(17)16-6-5-9(15)18/h1-4H,5-6H2,(H2,15,18)(H,16,17)
InChIKeyUEUDVCUXEXFAEJ-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.11
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide

N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide (PubChem CID 62665548) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
PubChem CID62665548
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
SMILESNC(=S)CCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)8-4-2-1-3-7(8)10(17)16-6-5-9(15)18/h1-4H,5-6H2,(H2,15,18)(H,16,17)
InChIKeyUEUDVCUXEXFAEJ-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.11
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-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573667
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide (CID 62665548) is N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide is NC(=S)CCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is UEUDVCUXEXFAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c12-11(13,14)8-4-2-1-3-7(8)10(17)16-6-5-9(15)18/h1-4H,5-6H2,(H2,15,18)(H,16,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 276.28 g/mol, XLogP of 2.11, 4 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 62665548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).