5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide

C13H14ClN3OS — CID 61438183

IUPAC5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(Cl)s1)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H14ClN3OS/c1-17(7-9-3-5-12(14)19-9)11-4-2-8(15)6-10(11)13(16)18/h2-6H,7,15H2,1H3,(H2,16,18)
InChIKeyLEROFHXLANCBPU-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.72
Rot. Bonds4

About 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide

5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide (PubChem CID 61438183) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
PubChem CID61438183
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(Cl)s1)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H14ClN3OS/c1-17(7-9-3-5-12(14)19-9)11-4-2-8(15)6-10(11)13(16)18/h2-6H,7,15H2,1H3,(H2,16,18)
InChIKeyLEROFHXLANCBPU-UHFFFAOYSA-N
XLogP2.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2,3-difluorobenzenecarbothioamide
CID 107934643
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929819
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 82786044
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
5-amino-2-[methyl(3-methylbutyl)amino]benzamide
CID 61429127
ethyl 2-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoate
CID 115545135
N-(4-aminophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylacetamide
CID 61438374
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide?
The IUPAC name of 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide (CID 61438183) is 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide.
What is the SMILES notation for 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide?
The canonical SMILES for 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide is CN(Cc1ccc(Cl)s1)c1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide?
The InChIKey is LEROFHXLANCBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17(7-9-3-5-12(14)19-9)11-4-2-8(15)6-10(11)13(16)18/h2-6H,7,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide?
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide has a molecular weight of 295.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide is sourced from PubChem (CID 61438183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).