2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide

C14H16N2O2S — CID 106434384

IUPAC2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C14H16N2O2S/c1-9-2-3-12(15)11(6-9)14(18)16-7-13(17)10-4-5-19-8-10/h2-6,8,13,17H,7,15H2,1H3,(H,16,18)
InChIKeyAGRKRWCTLJAUDZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide

2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide (PubChem CID 106434384) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
PubChem CID106434384
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C14H16N2O2S/c1-9-2-3-12(15)11(6-9)14(18)16-7-13(17)10-4-5-19-8-10/h2-6,8,13,17H,7,15H2,1H3,(H,16,18)
InChIKeyAGRKRWCTLJAUDZ-UHFFFAOYSA-N
XLogP2.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.10
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

2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 65036645
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide (CID 106434384) is 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
The InChIKey is AGRKRWCTLJAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-2-3-12(15)11(6-9)14(18)16-7-13(17)10-4-5-19-8-10/h2-6,8,13,17H,7,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide has a molecular weight of 276.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide is sourced from PubChem (CID 106434384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).