2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C18H23NO4S — CID 18860548

IUPAC2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(C)(C)c1ccc2occ(CC(=O)NC3CCS(=O)(=O)C3)c2c1
InChIInChI=1S/C18H23NO4S/c1-18(2,3)13-4-5-16-15(9-13)12(10-23-16)8-17(20)19-14-6-7-24(21,22)11-14/h4-5,9-10,14H,6-8,11H2,1-3H3,(H,19,20)
InChIKeyYVMJTWGWWFXNLZ-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.58
Rot. Bonds3

About 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 18860548) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID18860548
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(C)(C)c1ccc2occ(CC(=O)NC3CCS(=O)(=O)C3)c2c1
InChIInChI=1S/C18H23NO4S/c1-18(2,3)13-4-5-16-15(9-13)12(10-23-16)8-17(20)19-14-6-7-24(21,22)11-14/h4-5,9-10,14H,6-8,11H2,1-3H3,(H,19,20)
InChIKeyYVMJTWGWWFXNLZ-UHFFFAOYSA-N
XLogP2.58
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901965
4-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-4-oxobutanamide
CID 110297964
N'-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)oxamide
CID 108526829
2-(1,3-benzoxazol-6-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110771780
3-(N-acetyl-4-tert-butylanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126548
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 18861285
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
1-(4-tert-butylphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 94092482
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 23889660
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 94006633

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 18860548) is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is CC(C)(C)c1ccc2occ(CC(=O)NC3CCS(=O)(=O)C3)c2c1.
What is the InChIKey of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is YVMJTWGWWFXNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-18(2,3)13-4-5-16-15(9-13)12(10-23-16)8-17(20)19-14-6-7-24(21,22)11-14/h4-5,9-10,14H,6-8,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 349.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 18860548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).