3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide

C15H15BrN2O2S — CID 60778066

IUPAC3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2sccc2Br)c1C
InChIInChI=1S/C15H15BrN2O2S/c1-9-4-3-5-12(10(9)2)18-13(19)8-17-15(20)14-11(16)6-7-21-14/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySZGCNMPKKHWRIA-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.50
Rot. Bonds4

About 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide

3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 60778066) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID60778066
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2sccc2Br)c1C
InChIInChI=1S/C15H15BrN2O2S/c1-9-4-3-5-12(10(9)2)18-13(19)8-17-15(20)14-11(16)6-7-21-14/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySZGCNMPKKHWRIA-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
3-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 47233812
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9434136
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
CID 47309174
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248872

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 60778066) is 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1cccc(NC(=O)CNC(=O)c2sccc2Br)c1C.
What is the InChIKey of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SZGCNMPKKHWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-9-4-3-5-12(10(9)2)18-13(19)8-17-15(20)14-11(16)6-7-21-14/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 60778066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).