N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C20H23N3O3S — CID 112503947

IUPACN-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCN(CC)C(CNC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C20H23N3O3S/c1-3-22(4-2)16(17-10-7-11-27-17)12-21-18(24)13-23-19(25)14-8-5-6-9-15(14)20(23)26/h5-11,16H,3-4,12-13H2,1-2H3,(H,21,24)
InChIKeyHEXBVFDKTXLQKS-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 112503947) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID112503947
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCN(CC)C(CNC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C20H23N3O3S/c1-3-22(4-2)16(17-10-7-11-27-17)12-21-18(24)13-23-19(25)14-8-5-6-9-15(14)20(23)26/h5-11,16H,3-4,12-13H2,1-2H3,(H,21,24)
InChIKeyHEXBVFDKTXLQKS-UHFFFAOYSA-N
XLogP2.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 112503950
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8504380
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 51895567
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796440
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796434
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 112503957
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7496142
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 112503947) is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CCN(CC)C(CNC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is HEXBVFDKTXLQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-22(4-2)16(17-10-7-11-27-17)12-21-18(24)13-23-19(25)14-8-5-6-9-15(14)20(23)26/h5-11,16H,3-4,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 112503947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).