4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide

C15H15N3OS — CID 115675549

IUPAC4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2ccc(C#N)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-17-15(19)12-4-2-11(3-5-12)9-18-10-14-7-6-13(8-16)20-14/h2-7,18H,9-10H2,1H3,(H,17,19)
InChIKeyCSMDVCIUKZPCTG-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.27
Rot. Bonds5

About 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide

4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide (PubChem CID 115675549) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide
PubChem CID115675549
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2ccc(C#N)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-17-15(19)12-4-2-11(3-5-12)9-18-10-14-7-6-13(8-16)20-14/h2-7,18H,9-10H2,1H3,(H,17,19)
InChIKeyCSMDVCIUKZPCTG-UHFFFAOYSA-N
XLogP2.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-methylphenyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675383
tert-butyl N-[[4-[[(5-cyanothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-methylcarbamate
CID 166200557
4-[(5-cyanothiophen-2-yl)methyl]benzoic acid
CID 167136872
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675335
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
methyl 2-[5-[[(4-cyanophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82887366
3-[(5-cyanothiophen-2-yl)methylamino]propanamide
CID 115919596
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303
5-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 63316587
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675347
N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
CID 66409354
3-[(5-cyanothiophen-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115675704

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide (CID 115675549) is 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCc2ccc(C#N)s2)cc1.
What is the InChIKey of 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide?
The InChIKey is CSMDVCIUKZPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-17-15(19)12-4-2-11(3-5-12)9-18-10-14-7-6-13(8-16)20-14/h2-7,18H,9-10H2,1H3,(H,17,19).
What are the key properties of 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide?
4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide has a molecular weight of 285.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-cyanothiophen-2-yl)methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 115675549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).