N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide

C14H16N2O2S — CID 43461437

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(N)cc2)s1
InChIInChI=1S/C14H16N2O2S/c1-9-2-7-13(19-9)14(18)16-8-12(17)10-3-5-11(15)6-4-10/h2-7,12,17H,8,15H2,1H3,(H,16,18)
InChIKeyAPFLARJTBUMZHY-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.10
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide (PubChem CID 43461437) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
PubChem CID43461437
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(N)cc2)s1
InChIInChI=1S/C14H16N2O2S/c1-9-2-7-13(19-9)14(18)16-8-12(17)10-3-5-11(15)6-4-10/h2-7,12,17H,8,15H2,1H3,(H,16,18)
InChIKeyAPFLARJTBUMZHY-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-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
N-[2-(4-aminophenyl)-2-hydroxyethyl]-4,5-dibromothiophene-2-carboxamide
CID 80536847
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 38524814
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 110888816
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide (CID 43461437) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(O)c2ccc(N)cc2)s1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is APFLARJTBUMZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-2-7-13(19-9)14(18)16-8-12(17)10-3-5-11(15)6-4-10/h2-7,12,17H,8,15H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide 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 N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 43461437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).