3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide

C15H17N3O2S — CID 66385911

IUPAC3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2sccc2NC(C)=O)c1
InChIInChI=1S/C15H17N3O2S/c1-10(19)18-13-6-7-21-14(13)9-17-12-5-3-4-11(8-12)15(20)16-2/h3-8,17H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXCRDXJFYFZJAPM-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.68
Rot. Bonds5

About 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide

3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide (PubChem CID 66385911) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide
PubChem CID66385911
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2sccc2NC(C)=O)c1
InChIInChI=1S/C15H17N3O2S/c1-10(19)18-13-6-7-21-14(13)9-17-12-5-3-4-11(8-12)15(20)16-2/h3-8,17H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXCRDXJFYFZJAPM-UHFFFAOYSA-N
XLogP2.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
CID 66385208
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387299
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 66385538
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide (CID 66385911) is 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide is CNC(=O)c1cccc(NCc2sccc2NC(C)=O)c1.
What is the InChIKey of 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide?
The InChIKey is XCRDXJFYFZJAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10(19)18-13-6-7-21-14(13)9-17-12-5-3-4-11(8-12)15(20)16-2/h3-8,17H,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide?
3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide has a molecular weight of 303.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 66385911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).