2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

C16H17N3O4S2 — CID 75463884

IUPAC2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCNS(C)(=O)=O)C(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C16H17N3O4S2/c1-19(8-7-17-25(2,21)22)16(20)12-10-24-15(18-12)14-9-11-5-3-4-6-13(11)23-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyRQIYGJDOOBTOLV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.18
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 75463884) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID75463884
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCNS(C)(=O)=O)C(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C16H17N3O4S2/c1-19(8-7-17-25(2,21)22)16(20)12-10-24-15(18-12)14-9-11-5-3-4-6-13(11)23-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyRQIYGJDOOBTOLV-UHFFFAOYSA-N
XLogP2.18
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 75463884) is 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CCNS(C)(=O)=O)C(=O)c1csc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RQIYGJDOOBTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-19(8-7-17-25(2,21)22)16(20)12-10-24-15(18-12)14-9-11-5-3-4-6-13(11)23-14/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-[2-(methanesulfonamido)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75463884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).