3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide

C19H19BrN2O3S — CID 55911974

IUPAC3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C19H19BrN2O3S/c1-12(13-8-10-14(11-9-13)26(3,24)25)22(2)19(23)18-17(20)15-6-4-5-7-16(15)21-18/h4-12,21H,1-3H3
InChIKeyONXBDOKTDBGXCK-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.17
Rot. Bonds4

About 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide

3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 55911974) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID55911974
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC Name3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C19H19BrN2O3S/c1-12(13-8-10-14(11-9-13)26(3,24)25)22(2)19(23)18-17(20)15-6-4-5-7-16(15)21-18/h4-12,21H,1-3H3
InChIKeyONXBDOKTDBGXCK-UHFFFAOYSA-N
XLogP4.17
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
4-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 55551487
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976164
5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 112813602
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 134063137
2-[(3-bromo-1H-indole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119202809
4-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 56811278

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide (CID 55911974) is 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1[nH]c2ccccc2c1Br.
What is the InChIKey of 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is ONXBDOKTDBGXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-12(13-8-10-14(11-9-13)26(3,24)25)22(2)19(23)18-17(20)15-6-4-5-7-16(15)21-18/h4-12,21H,1-3H3.
What are the key properties of 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide?
3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 435.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55911974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).