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

C14H13BrN2O2S — CID 47309174

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-9-6-7-20-13(9)14(19)16-8-12(18)17-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyGOVRLRQSUFZIQY-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.19
Rot. Bonds4

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

N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide (PubChem CID 47309174) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
PubChem CID47309174
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-9-6-7-20-13(9)14(19)16-8-12(18)17-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyGOVRLRQSUFZIQY-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide (CID 47309174) is N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is GOVRLRQSUFZIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-9-6-7-20-13(9)14(19)16-8-12(18)17-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 353.24 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 47309174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).