N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

C20H20FN3O3S — CID 11223346

IUPACN-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
SMILESCCCCCOc1ccc(NC(=S)NC(=O)c2cc3cnccc3o2)cc1F
InChIInChI=1S/C20H20FN3O3S/c1-2-3-4-9-26-17-6-5-14(11-15(17)21)23-20(28)24-19(25)18-10-13-12-22-8-7-16(13)27-18/h5-8,10-12H,2-4,9H2,1H3,(H2,23,24,25,28)
InChIKeyDKYFWTWLWSFWMT-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.66
Rot. Bonds7

About N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide (PubChem CID 11223346) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
PubChem CID11223346
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC NameN-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
SMILESCCCCCOc1ccc(NC(=S)NC(=O)c2cc3cnccc3o2)cc1F
InChIInChI=1S/C20H20FN3O3S/c1-2-3-4-9-26-17-6-5-14(11-15(17)21)23-20(28)24-19(25)18-10-13-12-22-8-7-16(13)27-18/h5-8,10-12H,2-4,9H2,1H3,(H2,23,24,25,28)
InChIKeyDKYFWTWLWSFWMT-UHFFFAOYSA-N
XLogP4.66
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-1,3-benzoxazole-2-carboxamide
CID 59700775
N-[(6-pentoxy-3-pyridinyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 21041861
N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 11654951
N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
CID 11259213
N-[(2-pentan-2-yloxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide;hydrochloride
CID 87454492
butyl 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate
CID 2292185
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-1-methylpiperidine-3-carboxamide
CID 59700830
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947158
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1342731
5-bromo-2-hexoxy-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17343609
5-(furan-3-yl)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide
CID 25174026

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide (CID 11223346) is N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide is CCCCCOc1ccc(NC(=S)NC(=O)c2cc3cnccc3o2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is DKYFWTWLWSFWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-2-3-4-9-26-17-6-5-14(11-15(17)21)23-20(28)24-19(25)18-10-13-12-22-8-7-16(13)27-18/h5-8,10-12H,2-4,9H2,1H3,(H2,23,24,25,28).
What are the key properties of N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide?
N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 11223346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).