2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide

C13H14ClN3OS — CID 113332730

IUPAC2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1N)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-7(10-5-6-11(14)19-10)17-9-4-2-3-8(12(9)15)13(16)18/h2-7,17H,15H2,1H3,(H2,16,18)
InChIKeyMYZHFTSGJRUVGA-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.26
Rot. Bonds4

About 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide

2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide (PubChem CID 113332730) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
PubChem CID113332730
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1N)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-7(10-5-6-11(14)19-10)17-9-4-2-3-8(12(9)15)13(16)18/h2-7,17H,15H2,1H3,(H2,16,18)
InChIKeyMYZHFTSGJRUVGA-UHFFFAOYSA-N
XLogP3.26
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
2-amino-6-[1-(5-chlorothiophen-2-yl)ethylamino]-3-fluorobenzoic acid
CID 83215744
2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 115545340
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
4-chloro-2-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 55181759
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide?
The IUPAC name of 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide (CID 113332730) is 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide.
What is the SMILES notation for 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide?
The canonical SMILES for 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide is CC(Nc1cccc(C(N)=O)c1N)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide?
The InChIKey is MYZHFTSGJRUVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7(10-5-6-11(14)19-10)17-9-4-2-3-8(12(9)15)13(16)18/h2-7,17H,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide?
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide has a molecular weight of 295.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide is sourced from PubChem (CID 113332730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).