2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide

C28H28ClFN2OS — CID 145369048

IUPAC2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
SMILESCCSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2F)n3C(C)C)cc1
InChIInChI=1S/C28H28ClFN2OS/c1-4-34-25-10-5-19(6-11-25)17-31-28(33)21-8-12-27-22(13-21)15-24(32(27)18(2)3)14-20-7-9-23(29)16-26(20)30/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,31,33)
InChIKeyDMCKGVKNBWMIFB-UHFFFAOYSA-N
MW495.06 g/mol
LogP7.65
Rot. Bonds8

About 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide

2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide (PubChem CID 145369048) has the molecular formula C28H28ClFN2OS and a molecular weight of 495.06 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
PubChem CID145369048
Molecular FormulaC28H28ClFN2OS
Molecular Weight495.06 g/mol
Exact Mass494.16
IUPAC Name2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
SMILESCCSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2F)n3C(C)C)cc1
InChIInChI=1S/C28H28ClFN2OS/c1-4-34-25-10-5-19(6-11-25)17-31-28(33)21-8-12-27-22(13-21)15-24(32(27)18(2)3)14-20-7-9-23(29)16-26(20)30/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,31,33)
InChIKeyDMCKGVKNBWMIFB-UHFFFAOYSA-N
XLogP7.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.06
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-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-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 145369019
2-[(2-ethylphenyl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 145369108
N-[(4-ethylsulfanylphenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 145369042
N-[(4-ethylsulfanylphenyl)methyl]-2-[(2-fluoro-4-methylphenyl)methyl]-1-prop-2-enylindole-5-carboxamide
CID 145369079
2-[(2-chloro-4-methylphenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432750
2-[(2-bromophenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432844
N-[(4-ethylsulfinylphenyl)methyl]-2-[(4-methylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 145369157
2-[(4-methylphenyl)methyl]-N-[(4-methylsulfinylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432690
1-ethyl-N-[(4-ethylsulfanylphenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide
CID 130432947
1-ethyl-4-fluorobenzene;N-[(4-ethylsulfanylphenyl)methyl]bicyclo[4.1.0]hepta-1(6),2,4-triene-3-carboxamide;N-methylpropan-2-amine
CID 145369083
2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[1-(4-ethylsulfanylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetrahydroxyethyl)indole-5-carboxamide
CID 138475669
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide (CID 145369048) is 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide is CCSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2F)n3C(C)C)cc1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide?
The InChIKey is DMCKGVKNBWMIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN2OS/c1-4-34-25-10-5-19(6-11-25)17-31-28(33)21-8-12-27-22(13-21)15-24(32(27)18(2)3)14-20-7-9-23(29)16-26(20)30/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,31,33).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide?
2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide has a molecular weight of 495.06 g/mol, XLogP of 7.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-ethylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide is sourced from PubChem (CID 145369048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).