N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide

C29H22F3N3O2S — CID 83289579

IUPACN-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)cc(C(=O)NCc1ccccc1)n2Cc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C29H22F3N3O2S/c30-29(31,32)22-10-8-20(9-11-22)18-35-24-13-12-23(34-28(37)26-7-4-14-38-26)15-21(24)16-25(35)27(36)33-17-19-5-2-1-3-6-19/h1-16H,17-18H2,(H,33,36)(H,34,37)
InChIKeyRFQACZKIDYEGOS-UHFFFAOYSA-N
MW533.58 g/mol
LogP6.95
Rot. Bonds7

About N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide

N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (PubChem CID 83289579) has the molecular formula C29H22F3N3O2S and a molecular weight of 533.58 g/mol. Its IUPAC name is N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
PubChem CID83289579
Molecular FormulaC29H22F3N3O2S
Molecular Weight533.58 g/mol
Exact Mass533.14
IUPAC NameN-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)cc(C(=O)NCc1ccccc1)n2Cc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C29H22F3N3O2S/c30-29(31,32)22-10-8-20(9-11-22)18-35-24-13-12-23(34-28(37)26-7-4-14-38-26)15-21(24)16-25(35)27(36)33-17-19-5-2-1-3-6-19/h1-16H,17-18H2,(H,33,36)(H,34,37)
InChIKeyRFQACZKIDYEGOS-UHFFFAOYSA-N
XLogP6.95
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.58
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]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-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83281798
5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 42808752
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052152
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
CID 83288380
N-benzylthiophene-2-carboxamide
CID 574227
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
5-amino-1-[(4-tert-butylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 42808855
1-[(4-tert-butylphenyl)methyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-N-(furan-2-ylmethyl)indole-2-carboxamide
CID 83272495
N-[4-[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 46040795

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (CID 83289579) is N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is O=C(Nc1ccc2c(c1)cc(C(=O)NCc1ccccc1)n2Cc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The InChIKey is RFQACZKIDYEGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N3O2S/c30-29(31,32)22-10-8-20(9-11-22)18-35-24-13-12-23(34-28(37)26-7-4-14-38-26)15-21(24)16-25(35)27(36)33-17-19-5-2-1-3-6-19/h1-16H,17-18H2,(H,33,36)(H,34,37).
What are the key properties of N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide has a molecular weight of 533.58 g/mol, XLogP of 6.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 83289579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).