N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

C14H14N2O3S — CID 9495522

IUPACN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14N2O3S/c1-9-4-5-10(11(17)7-9)16-13(18)8-15-14(19)12-3-2-6-20-12/h2-7,17H,8H2,1H3,(H,15,19)(H,16,18)
InChIKeyBDOUROWBFWSIKC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9495522) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9495522
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14N2O3S/c1-9-4-5-10(11(17)7-9)16-13(18)8-15-14(19)12-3-2-6-20-12/h2-7,17H,8H2,1H3,(H,15,19)(H,16,18)
InChIKeyBDOUROWBFWSIKC-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 9495522) is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2cccs2)c(O)c1.
What is the InChIKey of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BDOUROWBFWSIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-4-5-10(11(17)7-9)16-13(18)8-15-14(19)12-3-2-6-20-12/h2-7,17H,8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9495522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).