4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C15H16N2O3S — CID 18117382

IUPAC4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-17(8-11-6-7-21-10-11)15(19)12-2-4-13(5-3-12)20-9-14(16)18/h2-7,10H,8-9H2,1H3,(H2,16,18)
InChIKeyNVBLYUTUZRKKOP-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.88
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide

4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18117382) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18117382
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-17(8-11-6-7-21-10-11)15(19)12-2-4-13(5-3-12)20-9-14(16)18/h2-7,10H,8-9H2,1H3,(H2,16,18)
InChIKeyNVBLYUTUZRKKOP-UHFFFAOYSA-N
XLogP1.88
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
4-(2-amino-2-oxoethoxy)-N-methoxy-N-methylbenzamide
CID 47119792
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 61093832
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
2-[3-[[[ethylamino-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111984924
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide
CID 27742540
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200491

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 18117382) is 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is NVBLYUTUZRKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(8-11-6-7-21-10-11)15(19)12-2-4-13(5-3-12)20-9-14(16)18/h2-7,10H,8-9H2,1H3,(H2,16,18).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 304.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18117382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).