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

C14H11BrN2OS — CID 78985843

IUPACN-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1sccc1Br)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11BrN2OS/c15-11-5-6-19-13(11)8-17-14(18)10-7-16-12-4-2-1-3-9(10)12/h1-7,16H,8H2,(H,17,18)
InChIKeySECYKFBENMFDFR-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.92
Rot. Bonds3

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

N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 78985843) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
PubChem CID78985843
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1sccc1Br)c1c[nH]c2ccccc12
InChIInChI=1S/C14H11BrN2OS/c15-11-5-6-19-13(11)8-17-14(18)10-7-16-12-4-2-1-3-9(10)12/h1-7,16H,8H2,(H,17,18)
InChIKeySECYKFBENMFDFR-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-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
N-[(3-bromothiophen-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 71935280
N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47381407
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61381420
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
CID 78986020
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide (CID 78985843) is N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide is O=C(NCc1sccc1Br)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is SECYKFBENMFDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-11-5-6-19-13(11)8-17-14(18)10-7-16-12-4-2-1-3-9(10)12/h1-7,16H,8H2,(H,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-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-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 78985843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).