N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide

C23H18N4O4S — CID 60541274

IUPACN-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccncc1
InChIInChI=1S/C23H18N4O4S/c28-21(16-7-10-24-11-8-16)27-18-9-13-32-20(18)23(30)25-14-15-3-5-17(6-4-15)26-22(29)19-2-1-12-31-19/h1-13H,14H2,(H,25,30)(H,26,29)(H,27,28)
InChIKeyRTCUZFAZMSQXDF-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.17
Rot. Bonds7

About N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide

N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 60541274) has the molecular formula C23H18N4O4S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
PubChem CID60541274
Molecular FormulaC23H18N4O4S
Molecular Weight446.49 g/mol
Exact Mass446.10
IUPAC NameN-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccncc1
InChIInChI=1S/C23H18N4O4S/c28-21(16-7-10-24-11-8-16)27-18-9-13-32-20(18)23(30)25-14-15-3-5-17(6-4-15)26-22(29)19-2-1-12-31-19/h1-13H,14H2,(H,25,30)(H,26,29)(H,27,28)
InChIKeyRTCUZFAZMSQXDF-UHFFFAOYSA-N
XLogP4.17
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42018045
N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60556218
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide (CID 60541274) is N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide is O=C(Nc1ccsc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccncc1.
What is the InChIKey of N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is RTCUZFAZMSQXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S/c28-21(16-7-10-24-11-8-16)27-18-9-13-32-20(18)23(30)25-14-15-3-5-17(6-4-15)26-22(29)19-2-1-12-31-19/h1-13H,14H2,(H,25,30)(H,26,29)(H,27,28).
What are the key properties of N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 60541274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).