N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C22H16N4O4S — CID 17361346

IUPACN-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H16N4O4S/c27-19(14-6-8-16(9-7-14)24-21(29)18-5-2-11-30-18)25-17-4-1-3-15(13-17)20(28)26-22-23-10-12-31-22/h1-13H,(H,24,29)(H,25,27)(H,23,26,28)
InChIKeyKNWBOCOGZPEZES-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.49
Rot. Bonds6

About N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 17361346) has the molecular formula C22H16N4O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID17361346
Molecular FormulaC22H16N4O4S
Molecular Weight432.46 g/mol
Exact Mass432.09
IUPAC NameN-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H16N4O4S/c27-19(14-6-8-16(9-7-14)24-21(29)18-5-2-11-30-18)25-17-4-1-3-15(13-17)20(28)26-22-23-10-12-31-22/h1-13H,(H,24,29)(H,25,27)(H,23,26,28)
InChIKeyKNWBOCOGZPEZES-UHFFFAOYSA-N
XLogP4.49
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide
CID 17361516
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 1120366
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 23613200

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 17361346) is N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KNWBOCOGZPEZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4S/c27-19(14-6-8-16(9-7-14)24-21(29)18-5-2-11-30-18)25-17-4-1-3-15(13-17)20(28)26-22-23-10-12-31-22/h1-13H,(H,24,29)(H,25,27)(H,23,26,28).
What are the key properties of N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17361346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).