N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide

C20H16N4O4S2 — CID 70789512

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccco3)cs2)cc1
InChIInChI=1S/C20H16N4O4S2/c1-13-4-6-14(7-5-13)30(26,27)24-16-11-21-9-8-15(16)19(25)23-20-22-17(12-29-20)18-3-2-10-28-18/h2-12,24H,1H3,(H,22,23,25)
InChIKeyYNTNGMYAOGCBEL-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.16
Rot. Bonds6

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide (PubChem CID 70789512) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
PubChem CID70789512
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccco3)cs2)cc1
InChIInChI=1S/C20H16N4O4S2/c1-13-4-6-14(7-5-13)30(26,27)24-16-11-21-9-8-15(16)19(25)23-20-22-17(12-29-20)18-3-2-10-28-18/h2-12,24H,1H3,(H,22,23,25)
InChIKeyYNTNGMYAOGCBEL-UHFFFAOYSA-N
XLogP4.16
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide (CID 70789512) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccco3)cs2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The InChIKey is YNTNGMYAOGCBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c1-13-4-6-14(7-5-13)30(26,27)24-16-11-21-9-8-15(16)19(25)23-20-22-17(12-29-20)18-3-2-10-28-18/h2-12,24H,1H3,(H,22,23,25).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide is sourced from PubChem (CID 70789512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).