4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide

C14H16N2O2S — CID 107075489

IUPAC4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
SMILESCc1cc(CNC(=O)c2ccc(N)c(O)c2)sc1C
InChIInChI=1S/C14H16N2O2S/c1-8-5-11(19-9(8)2)7-16-14(18)10-3-4-12(15)13(17)6-10/h3-6,17H,7,15H2,1-2H3,(H,16,18)
InChIKeySAPOEPLIOYDYJI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.58
Rot. Bonds3

About 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide

4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide (PubChem CID 107075489) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
PubChem CID107075489
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
SMILESCc1cc(CNC(=O)c2ccc(N)c(O)c2)sc1C
InChIInChI=1S/C14H16N2O2S/c1-8-5-11(19-9(8)2)7-16-14(18)10-3-4-12(15)13(17)6-10/h3-6,17H,7,15H2,1-2H3,(H,16,18)
InChIKeySAPOEPLIOYDYJI-UHFFFAOYSA-N
XLogP2.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
CID 65241851
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
2,4-diamino-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65241205
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide (CID 107075489) is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide is Cc1cc(CNC(=O)c2ccc(N)c(O)c2)sc1C.
What is the InChIKey of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide?
The InChIKey is SAPOEPLIOYDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-5-11(19-9(8)2)7-16-14(18)10-3-4-12(15)13(17)6-10/h3-6,17H,7,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide?
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide has a molecular weight of 276.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 107075489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).