4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide

C16H20N2O2S — CID 60940281

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H20N2O2S/c1-20-9-8-18(12-15-3-2-10-21-15)16(19)14-6-4-13(11-17)5-7-14/h2-7,10H,8-9,11-12,17H2,1H3
InChIKeyNSSLZSIYLITJHT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.50
Rot. Bonds7

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide

4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 60940281) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID60940281
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H20N2O2S/c1-20-9-8-18(12-15-3-2-10-21-15)16(19)14-6-4-13(11-17)5-7-14/h2-7,10H,8-9,11-12,17H2,1H3
InChIKeyNSSLZSIYLITJHT-UHFFFAOYSA-N
XLogP2.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 47021814
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 61112230
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3459642
4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 17438424
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5123810
1-[4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 46992213
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-tert-butyl-N-(3-methoxypropyl)benzamide
CID 4988651
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4564565

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 60940281) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide is COCCN(Cc1cccs1)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NSSLZSIYLITJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-20-9-8-18(12-15-3-2-10-21-15)16(19)14-6-4-13(11-17)5-7-14/h2-7,10H,8-9,11-12,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide?
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 304.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 60940281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).