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

C16H15BrN2OS — CID 60959260

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H15BrN2OS/c1-2-19(10-11-6-7-15(17)21-11)16(20)13-4-3-5-14-12(13)8-9-18-14/h3-9,18H,2,10H2,1H3
InChIKeyPJHQBSCFLNTUJK-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.65
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide (PubChem CID 60959260) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide
PubChem CID60959260
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H15BrN2OS/c1-2-19(10-11-6-7-15(17)21-11)16(20)13-4-3-5-14-12(13)8-9-18-14/h3-9,18H,2,10H2,1H3
InChIKeyPJHQBSCFLNTUJK-UHFFFAOYSA-N
XLogP4.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
CID 54899979
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62827566
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
CID 107184564
N,N-bis(cyanomethyl)-1H-indole-4-carboxamide
CID 43582545
N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
CID 60958905

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide (CID 60959260) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide is CCN(Cc1ccc(Br)s1)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide?
The InChIKey is PJHQBSCFLNTUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-2-19(10-11-6-7-15(17)21-11)16(20)13-4-3-5-14-12(13)8-9-18-14/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide has a molecular weight of 363.28 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide is sourced from PubChem (CID 60959260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).