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

C20H21N3O5S2 — CID 25405529

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O5S2/c1-27-15-5-3-14(4-6-15)11-12-21-19(24)18-13-29-20(22-18)23-30(25,26)17-9-7-16(28-2)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyAHCKUTMIMZSPSC-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.93
Rot. Bonds9

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

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 25405529) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID25405529
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O5S2/c1-27-15-5-3-14(4-6-15)11-12-21-19(24)18-13-29-20(22-18)23-30(25,26)17-9-7-16(28-2)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyAHCKUTMIMZSPSC-UHFFFAOYSA-N
XLogP2.93
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 25405529) is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is COc1ccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is AHCKUTMIMZSPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-27-15-5-3-14(4-6-15)11-12-21-19(24)18-13-29-20(22-18)23-30(25,26)17-9-7-16(28-2)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).