5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide

C15H14BrN3OS — CID 63116787

IUPAC5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H14BrN3OS/c1-19(7-11-4-9(16)8-21-11)15(20)13-6-18-14-3-2-10(17)5-12(13)14/h2-6,8,18H,7,17H2,1H3
InChIKeyHXDDLBLVLFLRNB-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.85
Rot. Bonds3

About 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide

5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 63116787) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID63116787
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H14BrN3OS/c1-19(7-11-4-9(16)8-21-11)15(20)13-6-18-14-3-2-10(17)5-12(13)14/h2-6,8,18H,7,17H2,1H3
InChIKeyHXDDLBLVLFLRNB-UHFFFAOYSA-N
XLogP3.85
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(dimethylamino)-N-methylbenzamide
CID 61109086
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116844
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
CID 61109461
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 61095235
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide (CID 63116787) is 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide is CN(Cc1cc(Br)cs1)C(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is HXDDLBLVLFLRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-19(7-11-4-9(16)8-21-11)15(20)13-6-18-14-3-2-10(17)5-12(13)14/h2-6,8,18H,7,17H2,1H3.
What are the key properties of 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 364.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 63116787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).