N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide

C22H22N2O4S2 — CID 55687249

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C22H22N2O4S2/c25-21(15-30(26,27)12-4-7-16-5-2-1-3-6-16)24-22-23-19(14-29-22)17-8-9-20-18(13-17)10-11-28-20/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2,(H,23,24,25)
InChIKeyZROWJSNXUCGFIH-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.73
Rot. Bonds8

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 55687249) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID55687249
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C22H22N2O4S2/c25-21(15-30(26,27)12-4-7-16-5-2-1-3-6-16)24-22-23-19(14-29-22)17-8-9-20-18(13-17)10-11-28-20/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2,(H,23,24,25)
InChIKeyZROWJSNXUCGFIH-UHFFFAOYSA-N
XLogP3.73
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 55487502
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937145
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide
CID 112806781
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 35848049
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46680144
1-(benzenesulfonyl)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46680321
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869742
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-[4-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112806765
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanamide
CID 42930859
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
N-[4-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 46680202

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide (CID 55687249) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide is O=C(CS(=O)(=O)CCCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is ZROWJSNXUCGFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c25-21(15-30(26,27)12-4-7-16-5-2-1-3-6-16)24-22-23-19(14-29-22)17-8-9-20-18(13-17)10-11-28-20/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2,(H,23,24,25).
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide?
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 55687249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).