N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide

C23H24N4O3S — CID 100559776

IUPACN-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1OC
InChIInChI=1S/C23H24N4O3S/c1-4-20(28)25-16-10-9-15(13-19(16)29-3)27-22(18-11-8-14(2)30-18)21(26-23(27)31)17-7-5-6-12-24-17/h5-13,21-22H,4H2,1-3H3,(H,25,28)(H,26,31)/t21-,22-/m1/s1
InChIKeyKQGDUHWZOCKSRM-FGZHOGPDSA-N
MW436.54 g/mol
LogP4.52
Rot. Bonds6

About N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide

N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide (PubChem CID 100559776) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
PubChem CID100559776
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1OC
InChIInChI=1S/C23H24N4O3S/c1-4-20(28)25-16-10-9-15(13-19(16)29-3)27-22(18-11-8-14(2)30-18)21(26-23(27)31)17-7-5-6-12-24-17/h5-13,21-22H,4H2,1-3H3,(H,25,28)(H,26,31)/t21-,22-/m1/s1
InChIKeyKQGDUHWZOCKSRM-FGZHOGPDSA-N
XLogP4.52
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-4-[(4R,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100564481
N-[2-methoxy-4-[5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133243018
N-[2-methoxy-4-[(4S,5R)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100561389
N-[4-[(4R,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]propanamide
CID 100564538
N-[4-[5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]propanamide
CID 133243024
2-methoxy-N-[2-methyl-4-[(4R,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100578542
4-[5-[(4S,5S)-3-[3-methoxy-4-(propanoylamino)phenyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 100564780
N-[4-[5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]propanamide
CID 133243032
2-[5-[(4R,5S)-3-[3-methoxy-4-(propanoylamino)phenyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 100564692
N-[4-[(4S,5R)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]propanamide
CID 100565157
N-[4-[(4R,5S)-5-(4-iodo-2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]propanamide
CID 100560251
4-chloro-3-[5-[(4S,5R)-3-[3-methoxy-4-(propanoylamino)phenyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 100565204

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
The IUPAC name of N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide (CID 100559776) is N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide is CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1OC.
What is the InChIKey of N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
The InChIKey is KQGDUHWZOCKSRM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-4-20(28)25-16-10-9-15(13-19(16)29-3)27-22(18-11-8-14(2)30-18)21(26-23(27)31)17-7-5-6-12-24-17/h5-13,21-22H,4H2,1-3H3,(H,25,28)(H,26,31)/t21-,22-/m1/s1.
What are the key properties of N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide?
N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide has a molecular weight of 436.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 100559776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).