2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide

C17H13Cl2NO3S — CID 121133443

IUPAC2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2NO3S/c18-10-3-5-13(19)12(8-10)17(22)20-9-11-4-6-15(24-11)16(21)14-2-1-7-23-14/h1-8,16,21H,9H2,(H,20,22)
InChIKeyWIBQFOAAKNONPS-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.66
Rot. Bonds5

About 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide

2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 121133443) has the molecular formula C17H13Cl2NO3S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID121133443
Molecular FormulaC17H13Cl2NO3S
Molecular Weight382.27 g/mol
Exact Mass381.00
IUPAC Name2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2NO3S/c18-10-3-5-13(19)12(8-10)17(22)20-9-11-4-6-15(24-11)16(21)14-2-1-7-23-14/h1-8,16,21H,9H2,(H,20,22)
InChIKeyWIBQFOAAKNONPS-UHFFFAOYSA-N
XLogP4.66
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873352
1-(3,4-dichlorophenyl)-3-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 121133696
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583522
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 121134203
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121133548
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 71804650
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide
CID 121133440

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide (CID 121133443) is 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(O)c2ccco2)s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is WIBQFOAAKNONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3S/c18-10-3-5-13(19)12(8-10)17(22)20-9-11-4-6-15(24-11)16(21)14-2-1-7-23-14/h1-8,16,21H,9H2,(H,20,22).
What are the key properties of 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 382.27 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 121133443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).