N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide

C14H17FN2OS — CID 63359331

IUPACN-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide
SMILESNC(=S)c1ccc(CNC(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c15-12-7-10(13(16)19)5-6-11(12)8-17-14(18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,16,19)(H,17,18)
InChIKeyHXMMMTHPXBKCMX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.27
Rot. Bonds4

About N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide

N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide (PubChem CID 63359331) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide
PubChem CID63359331
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide
SMILESNC(=S)c1ccc(CNC(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c15-12-7-10(13(16)19)5-6-11(12)8-17-14(18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,16,19)(H,17,18)
InChIKeyHXMMMTHPXBKCMX-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.27
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-carbamothioyl-2-fluorophenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79158420
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 63359465
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide
CID 142837201
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]oxolane-2-carboxamide
CID 76995430
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarbothioamide
CID 66321774
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 63359290
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide
CID 63359642

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide (CID 63359331) is N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide is NC(=S)c1ccc(CNC(=O)C2CCCC2)c(F)c1.
What is the InChIKey of N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide?
The InChIKey is HXMMMTHPXBKCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c15-12-7-10(13(16)19)5-6-11(12)8-17-14(18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,16,19)(H,17,18).
What are the key properties of N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide?
N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.27, 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)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 63359331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).