N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide

C14H13ClN2O2S — CID 122146631

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-9-7-20-8-12(9)14(19)16-6-13(18)17-11-4-2-10(15)3-5-11/h2-5,7-8H,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyRVQMUHHZARAMHW-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide (PubChem CID 122146631) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide
PubChem CID122146631
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-9-7-20-8-12(9)14(19)16-6-13(18)17-11-4-2-10(15)3-5-11/h2-5,7-8H,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyRVQMUHHZARAMHW-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
CID 52741879
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide (CID 122146631) is N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide?
The InChIKey is RVQMUHHZARAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-9-7-20-8-12(9)14(19)16-6-13(18)17-11-4-2-10(15)3-5-11/h2-5,7-8H,6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 122146631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).