N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide

C21H24N2O4S2 — CID 18144877

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(Cc1cccs1)C1CCS(=O)(=O)C1)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O4S2/c1-15(20-11-16-5-2-3-7-19(16)27-20)22-21(24)13-23(12-18-6-4-9-28-18)17-8-10-29(25,26)14-17/h2-7,9,11,15,17H,8,10,12-14H2,1H3,(H,22,24)
InChIKeyPMUWUNDLIBBPMS-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.36
Rot. Bonds7

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 18144877) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID18144877
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
SMILESCC(NC(=O)CN(Cc1cccs1)C1CCS(=O)(=O)C1)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O4S2/c1-15(20-11-16-5-2-3-7-19(16)27-20)22-21(24)13-23(12-18-6-4-9-28-18)17-8-10-29(25,26)14-17/h2-7,9,11,15,17H,8,10,12-14H2,1H3,(H,22,24)
InChIKeyPMUWUNDLIBBPMS-UHFFFAOYSA-N
XLogP3.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide with MolForge

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 40702585
2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 18144876
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55395187
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94021412
N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 41037019
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18142864
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55591034
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 3366355
N-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 26818975
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]acetamide
CID 60504834

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide (CID 18144877) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide is CC(NC(=O)CN(Cc1cccs1)C1CCS(=O)(=O)C1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is PMUWUNDLIBBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-15(20-11-16-5-2-3-7-19(16)27-20)22-21(24)13-23(12-18-6-4-9-28-18)17-8-10-29(25,26)14-17/h2-7,9,11,15,17H,8,10,12-14H2,1H3,(H,22,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 18144877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).