N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide

C26H19N3O3S2 — CID 70789460

IUPACN-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19N3O3S2/c30-25(21-11-10-18-6-4-5-9-20(18)16-21)27-22-12-14-23(15-13-22)34(31,32)29-26-28-24(17-33-26)19-7-2-1-3-8-19/h1-17H,(H,27,30)(H,28,29)
InChIKeyCUAFIJHHEZSGDU-UHFFFAOYSA-N
MW485.59 g/mol
LogP6.02
Rot. Bonds6

About N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide

N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide (PubChem CID 70789460) has the molecular formula C26H19N3O3S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
PubChem CID70789460
Molecular FormulaC26H19N3O3S2
Molecular Weight485.59 g/mol
Exact Mass485.09
IUPAC NameN-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19N3O3S2/c30-25(21-11-10-18-6-4-5-9-20(18)16-21)27-22-12-14-23(15-13-22)34(31,32)29-26-28-24(17-33-26)19-7-2-1-3-8-19/h1-17H,(H,27,30)(H,28,29)
InChIKeyCUAFIJHHEZSGDU-UHFFFAOYSA-N
XLogP6.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide (CID 70789460) is N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is CUAFIJHHEZSGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3S2/c30-25(21-11-10-18-6-4-5-9-20(18)16-21)27-22-12-14-23(15-13-22)34(31,32)29-26-28-24(17-33-26)19-7-2-1-3-8-19/h1-17H,(H,27,30)(H,28,29).
What are the key properties of N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 70789460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).