N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C14H16N2O3S2 — CID 2738885

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCc2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H16N2O3S2/c1-9-14(20-10(2)16-9)21(17,18)15-8-11-3-4-13-12(7-11)5-6-19-13/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyKASJPIZFDPHSOG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.17
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 2738885) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID2738885
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCc2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H16N2O3S2/c1-9-14(20-10(2)16-9)21(17,18)15-8-11-3-4-13-12(7-11)5-6-19-13/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyKASJPIZFDPHSOG-UHFFFAOYSA-N
XLogP2.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 2738885) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCc2ccc3c(c2)CCO3)s1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is KASJPIZFDPHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-14(20-10(2)16-9)21(17,18)15-8-11-3-4-13-12(7-11)5-6-19-13/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 2738885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).