N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

C19H19N3O5S2 — CID 25405580

IUPACN-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3cccc(OC)c3)cs2)cc1
InChIInChI=1S/C19H19N3O5S2/c1-26-14-6-8-16(9-7-14)29(24,25)22-19-21-17(12-28-19)18(23)20-11-13-4-3-5-15(10-13)27-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAVLQNTLRNBLTCT-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.89
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 25405580) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID25405580
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3cccc(OC)c3)cs2)cc1
InChIInChI=1S/C19H19N3O5S2/c1-26-14-6-8-16(9-7-14)29(24,25)22-19-21-17(12-28-19)18(23)20-11-13-4-3-5-15(10-13)27-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAVLQNTLRNBLTCT-UHFFFAOYSA-N
XLogP2.89
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 25405580) is N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3cccc(OC)c3)cs2)cc1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is AVLQNTLRNBLTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-26-14-6-8-16(9-7-14)29(24,25)22-19-21-17(12-28-19)18(23)20-11-13-4-3-5-15(10-13)27-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).