4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide

C14H17N3OS — CID 79475551

IUPAC4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide
SMILESCN(CCc1cccs1)c1cc(N)ccc1C(N)=O
InChIInChI=1S/C14H17N3OS/c1-17(7-6-11-3-2-8-19-11)13-9-10(15)4-5-12(13)14(16)18/h2-5,8-9H,6-7,15H2,1H3,(H2,16,18)
InChIKeyZWIIKSDWTNCNAO-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.11
Rot. Bonds5

About 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide

4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide (PubChem CID 79475551) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide
PubChem CID79475551
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide
SMILESCN(CCc1cccs1)c1cc(N)ccc1C(N)=O
InChIInChI=1S/C14H17N3OS/c1-17(7-6-11-3-2-8-19-11)13-9-10(15)4-5-12(13)14(16)18/h2-5,8-9H,6-7,15H2,1H3,(H2,16,18)
InChIKeyZWIIKSDWTNCNAO-UHFFFAOYSA-N
XLogP2.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.11
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

5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 63773831
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79476283
methyl 3-amino-4-[methyl(2-thiophen-2-ylethyl)amino]benzoate
CID 79487908
5-amino-2-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79475810
methyl 2-amino-4-fluoro-5-[methyl(2-thiophen-2-ylethyl)amino]benzoate
CID 79488975
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
1-N-methyl-4-methylsulfonyl-1-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79476498
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide
CID 71992346

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide?
The IUPAC name of 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide (CID 79475551) is 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide.
What is the SMILES notation for 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide?
The canonical SMILES for 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide is CN(CCc1cccs1)c1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide?
The InChIKey is ZWIIKSDWTNCNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(7-6-11-3-2-8-19-11)13-9-10(15)4-5-12(13)14(16)18/h2-5,8-9H,6-7,15H2,1H3,(H2,16,18).
What are the key properties of 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide?
4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide is sourced from PubChem (CID 79475551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).