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

C14H11BrN2OS — CID 54899979

IUPACN-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H11BrN2OS/c15-13-5-4-9(19-13)8-17-14(18)11-2-1-3-12-10(11)6-7-16-12/h1-7,16H,8H2,(H,17,18)
InChIKeyMDDDSPCPHVAGGR-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.92
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide (PubChem CID 54899979) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
PubChem CID54899979
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H11BrN2OS/c15-13-5-4-9(19-13)8-17-14(18)11-2-1-3-12-10(11)6-7-16-12/h1-7,16H,8H2,(H,17,18)
InChIKeyMDDDSPCPHVAGGR-UHFFFAOYSA-N
XLogP3.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47291740
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide
CID 60959260
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
CID 61285056
1H-indole-4-carbohydrazide
CID 43316644
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
CID 63283681
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-amino-2-ethylbutyl)-1H-indole-4-carboxamide
CID 115305746
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide (CID 54899979) is N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide is O=C(NCc1ccc(Br)s1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide?
The InChIKey is MDDDSPCPHVAGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-13-5-4-9(19-13)8-17-14(18)11-2-1-3-12-10(11)6-7-16-12/h1-7,16H,8H2,(H,17,18).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 54899979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).