N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide

C15H22FN3OS — CID 8768258

IUPACN-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=S)Nc1ccccc1F
InChIInChI=1S/C15H22FN3OS/c1-5-19(10-13(20)18-15(2,3)4)14(21)17-12-9-7-6-8-11(12)16/h6-9H,5,10H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyYXOIJVCCXRLMSC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.76
Rot. Bonds4

About N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide

N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide (PubChem CID 8768258) has the molecular formula C15H22FN3OS and a molecular weight of 311.43 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide
PubChem CID8768258
Molecular FormulaC15H22FN3OS
Molecular Weight311.43 g/mol
Exact Mass311.15
IUPAC NameN-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=S)Nc1ccccc1F
InChIInChI=1S/C15H22FN3OS/c1-5-19(10-13(20)18-15(2,3)4)14(21)17-12-9-7-6-8-11(12)16/h6-9H,5,10H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyYXOIJVCCXRLMSC-UHFFFAOYSA-N
XLogP2.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.76
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-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
CID 60729755
2-carbamothioyl-N-(2-fluorophenyl)-2-methylbutanamide
CID 114291833
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8796724
2-[(3-chloro-2-methylphenyl)carbamothioyl-ethylamino]-N-ethylacetamide
CID 9213584
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
CID 2450964
N-(2-fluorophenyl)butanamide
CID 849021
2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
CID 56694544
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
2-[acetyl(2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113158923

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide (CID 8768258) is N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)C(=S)Nc1ccccc1F.
What is the InChIKey of N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide?
The InChIKey is YXOIJVCCXRLMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3OS/c1-5-19(10-13(20)18-15(2,3)4)14(21)17-12-9-7-6-8-11(12)16/h6-9H,5,10H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide has a molecular weight of 311.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide is sourced from PubChem (CID 8768258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).