N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide

C17H20N2O3S2 — CID 166291324

IUPACN-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1nccs1)C1CC1
InChIInChI=1S/C17H20N2O3S2/c20-24(21,19(15-2-3-15)12-17-18-7-9-23-17)10-6-13-1-4-16-14(11-13)5-8-22-16/h1,4,7,9,11,15H,2-3,5-6,8,10,12H2
InChIKeyFAMXIDYSZPBPAI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.61
Rot. Bonds7

About N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide

N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide (PubChem CID 166291324) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
PubChem CID166291324
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1nccs1)C1CC1
InChIInChI=1S/C17H20N2O3S2/c20-24(21,19(15-2-3-15)12-17-18-7-9-23-17)10-6-13-1-4-16-14(11-13)5-8-22-16/h1,4,7,9,11,15H,2-3,5-6,8,10,12H2
InChIKeyFAMXIDYSZPBPAI-UHFFFAOYSA-N
XLogP2.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide (CID 166291324) is N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide is O=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
The InChIKey is FAMXIDYSZPBPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-24(21,19(15-2-3-15)12-17-18-7-9-23-17)10-6-13-1-4-16-14(11-13)5-8-22-16/h1,4,7,9,11,15H,2-3,5-6,8,10,12H2.
What are the key properties of N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 166291324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).