5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide

C15H17FN2O4S — CID 37438823

IUPAC5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H17FN2O4S/c1-23(20,21)18-10-2-9-17-15(19)14-8-7-13(22-14)11-3-5-12(16)6-4-11/h3-8,18H,2,9-10H2,1H3,(H,17,19)
InChIKeyWUTIILFDEGSLMK-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.75
Rot. Bonds7

About 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide (PubChem CID 37438823) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide
PubChem CID37438823
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Name5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H17FN2O4S/c1-23(20,21)18-10-2-9-17-15(19)14-8-7-13(22-14)11-3-5-12(16)6-4-11/h3-8,18H,2,9-10H2,1H3,(H,17,19)
InChIKeyWUTIILFDEGSLMK-UHFFFAOYSA-N
XLogP1.75
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069417

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide (CID 37438823) is 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide is CS(=O)(=O)NCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide?
The InChIKey is WUTIILFDEGSLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S/c1-23(20,21)18-10-2-9-17-15(19)14-8-7-13(22-14)11-3-5-12(16)6-4-11/h3-8,18H,2,9-10H2,1H3,(H,17,19).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(methanesulfonamido)propyl]furan-2-carboxamide is sourced from PubChem (CID 37438823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).