N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide

C24H24N4O3S — CID 154835775

IUPACN-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)NCc1ccc(NC(=O)CN2CCc3ccccc32)cc1
InChIInChI=1S/C24H24N4O3S/c29-22(14-26-24(31)19-10-12-32-16-19)25-13-17-5-7-20(8-6-17)27-23(30)15-28-11-9-18-3-1-2-4-21(18)28/h1-8,10,12,16H,9,11,13-15H2,(H,25,29)(H,26,31)(H,27,30)
InChIKeyLIXVEXJSUSLOML-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.80
Rot. Bonds8

About N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 154835775) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID154835775
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)NCc1ccc(NC(=O)CN2CCc3ccccc32)cc1
InChIInChI=1S/C24H24N4O3S/c29-22(14-26-24(31)19-10-12-32-16-19)25-13-17-5-7-20(8-6-17)27-23(30)15-28-11-9-18-3-1-2-4-21(18)28/h1-8,10,12,16H,9,11,13-15H2,(H,25,29)(H,26,31)(H,27,30)
InChIKeyLIXVEXJSUSLOML-UHFFFAOYSA-N
XLogP2.80
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-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-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
CID 75461838
N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 166219373
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 39046356
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 166325010
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide (CID 154835775) is N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide is O=C(CNC(=O)c1ccsc1)NCc1ccc(NC(=O)CN2CCc3ccccc32)cc1.
What is the InChIKey of N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is LIXVEXJSUSLOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-22(14-26-24(31)19-10-12-32-16-19)25-13-17-5-7-20(8-6-17)27-23(30)15-28-11-9-18-3-1-2-4-21(18)28/h1-8,10,12,16H,9,11,13-15H2,(H,25,29)(H,26,31)(H,27,30).
What are the key properties of N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 154835775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).