3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide

C13H15N3O2S — CID 66386759

IUPAC3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1sccc1N
InChIInChI=1S/C13H15N3O2S/c1-18-11-3-2-8(13(15)17)6-10(11)16-7-12-9(14)4-5-19-12/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyJWZGNLNPWUTKJT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.05
Rot. Bonds5

About 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide

3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide (PubChem CID 66386759) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
PubChem CID66386759
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1sccc1N
InChIInChI=1S/C13H15N3O2S/c1-18-11-3-2-8(13(15)17)6-10(11)16-7-12-9(14)4-5-19-12/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyJWZGNLNPWUTKJT-UHFFFAOYSA-N
XLogP2.05
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
CID 66387695
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
CID 66387532
4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63743799

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide?
The IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide (CID 66386759) is 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NCc1sccc1N.
What is the InChIKey of 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide?
The InChIKey is JWZGNLNPWUTKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-11-3-2-8(13(15)17)6-10(11)16-7-12-9(14)4-5-19-12/h2-6,16H,7,14H2,1H3,(H2,15,17).
What are the key properties of 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide?
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide has a molecular weight of 277.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide is sourced from PubChem (CID 66386759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).