N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C22H19FN2O3S — CID 43071369

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2s1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C22H19FN2O3S/c23-15-7-9-16(10-8-15)27-14-17-11-12-19(28-17)22(26)24-13-3-6-21-25-18-4-1-2-5-20(18)29-21/h1-2,4-5,7-12H,3,6,13-14H2,(H,24,26)
InChIKeyVXYPPYSROBHISP-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.97
Rot. Bonds8

About N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 43071369) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID43071369
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2s1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C22H19FN2O3S/c23-15-7-9-16(10-8-15)27-14-17-11-12-19(28-17)22(26)24-13-3-6-21-25-18-4-1-2-5-20(18)29-21/h1-2,4-5,7-12H,3,6,13-14H2,(H,24,26)
InChIKeyVXYPPYSROBHISP-UHFFFAOYSA-N
XLogP4.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837485
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide
CID 46423641
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
5-[(4-fluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297951
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 46426584
5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 9270471
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 43071369) is N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is O=C(NCCCc1nc2ccccc2s1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is VXYPPYSROBHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c23-15-7-9-16(10-8-15)27-14-17-11-12-19(28-17)22(26)24-13-3-6-21-25-18-4-1-2-5-20(18)29-21/h1-2,4-5,7-12H,3,6,13-14H2,(H,24,26).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 43071369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).