5-amino-2-(2-thiophen-3-ylethylamino)benzamide

C13H15N3OS — CID 61475711

IUPAC5-amino-2-(2-thiophen-3-ylethylamino)benzamide
SMILESNC(=O)c1cc(N)ccc1NCCc1ccsc1
InChIInChI=1S/C13H15N3OS/c14-10-1-2-12(11(7-10)13(15)17)16-5-3-9-4-6-18-8-9/h1-2,4,6-8,16H,3,5,14H2,(H2,15,17)
InChIKeyZYTVXPFPMZXBMN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.08
Rot. Bonds5

About 5-amino-2-(2-thiophen-3-ylethylamino)benzamide

5-amino-2-(2-thiophen-3-ylethylamino)benzamide (PubChem CID 61475711) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-amino-2-(2-thiophen-3-ylethylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-thiophen-3-ylethylamino)benzamide
PubChem CID61475711
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name5-amino-2-(2-thiophen-3-ylethylamino)benzamide
SMILESNC(=O)c1cc(N)ccc1NCCc1ccsc1
InChIInChI=1S/C13H15N3OS/c14-10-1-2-12(11(7-10)13(15)17)16-5-3-9-4-6-18-8-9/h1-2,4,6-8,16H,3,5,14H2,(H2,15,17)
InChIKeyZYTVXPFPMZXBMN-UHFFFAOYSA-N
XLogP2.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.08
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

5-amino-2-(thiophen-3-ylmethylamino)benzamide
CID 63244338
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
CID 107194939
2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
CID 114893954
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
3-methyl-4-(2-thiophen-3-ylethylamino)benzenecarbothioamide
CID 54954004
5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63330742
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264
2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875294
4-bromo-2-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 65343541
3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 115506741

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-thiophen-3-ylethylamino)benzamide?
The IUPAC name of 5-amino-2-(2-thiophen-3-ylethylamino)benzamide (CID 61475711) is 5-amino-2-(2-thiophen-3-ylethylamino)benzamide.
What is the SMILES notation for 5-amino-2-(2-thiophen-3-ylethylamino)benzamide?
The canonical SMILES for 5-amino-2-(2-thiophen-3-ylethylamino)benzamide is NC(=O)c1cc(N)ccc1NCCc1ccsc1.
What is the InChIKey of 5-amino-2-(2-thiophen-3-ylethylamino)benzamide?
The InChIKey is ZYTVXPFPMZXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-10-1-2-12(11(7-10)13(15)17)16-5-3-9-4-6-18-8-9/h1-2,4,6-8,16H,3,5,14H2,(H2,15,17).
What are the key properties of 5-amino-2-(2-thiophen-3-ylethylamino)benzamide?
5-amino-2-(2-thiophen-3-ylethylamino)benzamide has a molecular weight of 261.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-thiophen-3-ylethylamino)benzamide is sourced from PubChem (CID 61475711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).