2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide

C14H16N2O2S — CID 71913402

IUPAC2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
SMILESCc1ccc(CNc2cccc(NC(=O)CO)c2)s1
InChIInChI=1S/C14H16N2O2S/c1-10-5-6-13(19-10)8-15-11-3-2-4-12(7-11)16-14(18)9-17/h2-7,15,17H,8-9H2,1H3,(H,16,18)
InChIKeyPRMULNUHLJVENQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.60
Rot. Bonds5

About 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide

2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide (PubChem CID 71913402) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
PubChem CID71913402
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
SMILESCc1ccc(CNc2cccc(NC(=O)CO)c2)s1
InChIInChI=1S/C14H16N2O2S/c1-10-5-6-13(19-10)8-15-11-3-2-4-12(7-11)16-14(18)9-17/h2-7,15,17H,8-9H2,1H3,(H,16,18)
InChIKeyPRMULNUHLJVENQ-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037
N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 28731496
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 167755284
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
N-[3-[(3-chlorophenyl)methylamino]phenyl]-2-hydroxyacetamide
CID 71968013
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691900
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 43703806
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide
CID 71968012
3-methyl-N-[3-[[[N'-methyl-N-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111898179

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide (CID 71913402) is 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide is Cc1ccc(CNc2cccc(NC(=O)CO)c2)s1.
What is the InChIKey of 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The InChIKey is PRMULNUHLJVENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-5-6-13(19-10)8-15-11-3-2-4-12(7-11)16-14(18)9-17/h2-7,15,17H,8-9H2,1H3,(H,16,18).
What are the key properties of 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide has a molecular weight of 276.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71913402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).