N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide

C13H15FN2OS — CID 103163742

IUPACN-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide
SMILESNC(=S)c1ccc(NC(=O)CC2CCC2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c14-10-7-9(13(15)18)4-5-11(10)16-12(17)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H2,15,18)(H,16,17)
InChIKeyRSTKDIDFCYVUOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.59
Rot. Bonds4

About N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide

N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide (PubChem CID 103163742) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide
PubChem CID103163742
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide
SMILESNC(=S)c1ccc(NC(=O)CC2CCC2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c14-10-7-9(13(15)18)4-5-11(10)16-12(17)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H2,15,18)(H,16,17)
InChIKeyRSTKDIDFCYVUOZ-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.59
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

4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
N-(5-carbamothioyl-2-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83137569
4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 11314022
3-[4-[(2-cyclopentylacetyl)amino]-3-fluorophenyl]prop-2-enoic acid
CID 76907595
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 110863603
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide
CID 107972262

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide?
The IUPAC name of N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide (CID 103163742) is N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide is NC(=S)c1ccc(NC(=O)CC2CCC2)c(F)c1.
What is the InChIKey of N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide?
The InChIKey is RSTKDIDFCYVUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-10-7-9(13(15)18)4-5-11(10)16-12(17)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H2,15,18)(H,16,17).
What are the key properties of N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide?
N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide has a molecular weight of 266.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103163742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).