N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C17H18N4O3S — CID 134060085

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)cn1
InChIInChI=1S/C17H18N4O3S/c1-21-8-7-18-17(21)25-11-13-4-5-14(24-13)16(22)20-10-12-3-6-15(23-2)19-9-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyKQRKQTZGDVPYDG-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.64
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 134060085) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID134060085
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)cn1
InChIInChI=1S/C17H18N4O3S/c1-21-8-7-18-17(21)25-11-13-4-5-14(24-13)16(22)20-10-12-3-6-15(23-2)19-9-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyKQRKQTZGDVPYDG-UHFFFAOYSA-N
XLogP2.64
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
N-[[4-(difluoromethoxy)phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35412214
N-(1-benzofuran-2-ylmethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 87018610
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 51087547
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60515907
N-(3,5-dimethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440333
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
CID 55573363
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 166189885
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 120945905
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 134060085) is N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is KQRKQTZGDVPYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-21-8-7-18-17(21)25-11-13-4-5-14(24-13)16(22)20-10-12-3-6-15(23-2)19-9-12/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 134060085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).