N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

C15H13BrN2O2S — CID 102712082

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C15H13BrN2O2S/c1-18(7-12-6-11(16)8-21-12)15(20)10-3-2-9-5-14(19)17-13(9)4-10/h2-4,6,8H,5,7H2,1H3,(H,17,19)
InChIKeyGVRCVGLYBYGQCS-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.28
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712082) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712082
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C15H13BrN2O2S/c1-18(7-12-6-11(16)8-21-12)15(20)10-3-2-9-5-14(19)17-13(9)4-10/h2-4,6,8H,5,7H2,1H3,(H,17,19)
InChIKeyGVRCVGLYBYGQCS-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712447
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712770
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712059
N-methyl-N-(3-methylbutan-2-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711796
N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015
N-methyl-2-oxo-N-pentan-2-yl-1,3-dihydroindole-6-carboxamide
CID 102711803
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
CID 62921447

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712082) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is CN(Cc1cc(Br)cs1)C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is GVRCVGLYBYGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-18(7-12-6-11(16)8-21-12)15(20)10-3-2-9-5-14(19)17-13(9)4-10/h2-4,6,8H,5,7H2,1H3,(H,17,19).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).