3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

C17H21N3O3S — CID 134048537

IUPAC3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(OCC(N)=O)c1)c1cccs1
InChIInChI=1S/C17H21N3O3S/c1-20(2)14(15-7-4-8-24-15)10-19-17(22)12-5-3-6-13(9-12)23-11-16(18)21/h3-9,14H,10-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeySQEXAEQHIYJCIC-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.64
Rot. Bonds8

About 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (PubChem CID 134048537) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
PubChem CID134048537
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(OCC(N)=O)c1)c1cccs1
InChIInChI=1S/C17H21N3O3S/c1-20(2)14(15-7-4-8-24-15)10-19-17(22)12-5-3-6-13(9-12)23-11-16(18)21/h3-9,14H,10-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeySQEXAEQHIYJCIC-UHFFFAOYSA-N
XLogP1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methanesulfonamido)benzamide
CID 51647882
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
CID 125159526
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 51981001
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (CID 134048537) is 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is CN(C)C(CNC(=O)c1cccc(OCC(N)=O)c1)c1cccs1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is SQEXAEQHIYJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-20(2)14(15-7-4-8-24-15)10-19-17(22)12-5-3-6-13(9-12)23-11-16(18)21/h3-9,14H,10-11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 134048537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).