2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide

C13H15N3OS — CID 115544836

IUPAC2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
SMILESCN(Cc1ccsc1)c1cccc(C(N)=O)c1N
InChIInChI=1S/C13H15N3OS/c1-16(7-9-5-6-18-8-9)11-4-2-3-10(12(11)14)13(15)17/h2-6,8H,7,14H2,1H3,(H2,15,17)
InChIKeyCKMRNUORDXFSMZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide

2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide (PubChem CID 115544836) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
PubChem CID115544836
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
SMILESCN(Cc1ccsc1)c1cccc(C(N)=O)c1N
InChIInChI=1S/C13H15N3OS/c1-16(7-9-5-6-18-8-9)11-4-2-3-10(12(11)14)13(15)17/h2-6,8H,7,14H2,1H3,(H2,15,17)
InChIKeyCKMRNUORDXFSMZ-UHFFFAOYSA-N
XLogP2.07
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 115546523
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191
5-methyl-2-[methyl(thiophen-3-ylmethyl)amino]benzenecarbothioamide
CID 114017039
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
methyl 5-amino-2-[methyl(thiophen-3-ylmethyl)amino]benzoate
CID 61306594
5-bromo-2-[methyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 114895625
3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 62588302
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
methyl 2-amino-3-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 115544640
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide?
The IUPAC name of 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide (CID 115544836) is 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide is CN(Cc1ccsc1)c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide?
The InChIKey is CKMRNUORDXFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-16(7-9-5-6-18-8-9)11-4-2-3-10(12(11)14)13(15)17/h2-6,8H,7,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide?
2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide has a molecular weight of 261.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide is sourced from PubChem (CID 115544836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).