3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide

C14H17N3OS — CID 66385538

IUPAC3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCc2sccc2N)c1
InChIInChI=1S/C14H17N3OS/c1-2-16-14(18)10-4-3-5-11(8-10)17-9-13-12(15)6-7-19-13/h3-8,17H,2,9,15H2,1H3,(H,16,18)
InChIKeyVCGNGKFFQBQOBC-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.69
Rot. Bonds5

About 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide

3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide (PubChem CID 66385538) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
PubChem CID66385538
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCc2sccc2N)c1
InChIInChI=1S/C14H17N3OS/c1-2-16-14(18)10-4-3-5-11(8-10)17-9-13-12(15)6-7-19-13/h3-8,17H,2,9,15H2,1H3,(H,16,18)
InChIKeyVCGNGKFFQBQOBC-UHFFFAOYSA-N
XLogP2.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
CID 66385780
3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide
CID 43680774
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-acetamido-N-ethylbenzamide
CID 17230670
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
ethyl 4-[(3-aminothiophen-2-yl)methylamino]benzoate
CID 66387124
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780
3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide
CID 66385911
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide?
The IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide (CID 66385538) is 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NCc2sccc2N)c1.
What is the InChIKey of 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide?
The InChIKey is VCGNGKFFQBQOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-16-14(18)10-4-3-5-11(8-10)17-9-13-12(15)6-7-19-13/h3-8,17H,2,9,15H2,1H3,(H,16,18).
What are the key properties of 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide?
3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide has a molecular weight of 275.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide is sourced from PubChem (CID 66385538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).