N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide

C15H13BrN2OS — CID 47250258

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1cc(Br)cs1
InChIInChI=1S/C15H13BrN2OS/c16-11-6-12(20-9-11)8-18-15(19)5-10-7-17-14-4-2-1-3-13(10)14/h1-4,6-7,9,17H,5,8H2,(H,18,19)
InChIKeyWKQIOHSURQDKOO-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.85
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide

N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 47250258) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID47250258
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1cc(Br)cs1
InChIInChI=1S/C15H13BrN2OS/c16-11-6-12(20-9-11)8-18-15(19)5-10-7-17-14-4-2-1-3-13(10)14/h1-4,6-7,9,17H,5,8H2,(H,18,19)
InChIKeyWKQIOHSURQDKOO-UHFFFAOYSA-N
XLogP3.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-bromothiophen-2-yl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51997517
2-(1H-indol-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775067
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
CID 143542035
N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110867045

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide (CID 47250258) is N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is WKQIOHSURQDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-11-6-12(20-9-11)8-18-15(19)5-10-7-17-14-4-2-1-3-13(10)14/h1-4,6-7,9,17H,5,8H2,(H,18,19).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 349.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 47250258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).