4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide

C16H18N2O4S — CID 134012934

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2cccs2)ccc1OCC(N)=O
InChIInChI=1S/C16H18N2O4S/c1-21-14-9-11(4-5-13(14)22-10-15(17)19)16(20)18-7-6-12-3-2-8-23-12/h2-5,8-9H,6-7,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyALYKTUZPMWPGSH-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.59
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 134012934) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID134012934
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2cccs2)ccc1OCC(N)=O
InChIInChI=1S/C16H18N2O4S/c1-21-14-9-11(4-5-13(14)22-10-15(17)19)16(20)18-7-6-12-3-2-8-23-12/h2-5,8-9H,6-7,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyALYKTUZPMWPGSH-UHFFFAOYSA-N
XLogP1.59
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 27043966
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
2-(2-amino-2-oxoethoxy)-N-(2-thiophen-2-ylethyl)benzamide
CID 134031335
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 58103361
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507
4-(2-amino-2-oxoethoxy)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methoxybenzamide
CID 119159659
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 8946943

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 134012934) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide is COc1cc(C(=O)NCCc2cccs2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is ALYKTUZPMWPGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-21-14-9-11(4-5-13(14)22-10-15(17)19)16(20)18-7-6-12-3-2-8-23-12/h2-5,8-9H,6-7,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 334.40 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 134012934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).