N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide

C15H15BrN2O2S — CID 25163131

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10-7-8-21-14(10)15(20)18(2)9-13(19)17-12-6-4-3-5-11(12)16/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyGFOLTDJONSXWMD-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 25163131) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
PubChem CID25163131
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10-7-8-21-14(10)15(20)18(2)9-13(19)17-12-6-4-3-5-11(12)16/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyGFOLTDJONSXWMD-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide (CID 25163131) is N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is GFOLTDJONSXWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-7-8-21-14(10)15(20)18(2)9-13(19)17-12-6-4-3-5-11(12)16/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 25163131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).