N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide

C27H26N4O2 — CID 155076778

IUPACN-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(C#N)ccc2[nH]1)[C@@H]1C=C(NCc2cc3ccccc3o2)CCC1
InChIInChI=1S/C27H26N4O2/c1-2-31(27(32)25-14-20-12-18(16-28)10-11-24(20)30-25)22-8-5-7-21(15-22)29-17-23-13-19-6-3-4-9-26(19)33-23/h3-4,6,9-15,22,29-30H,2,5,7-8,17H2,1H3/t22-/m0/s1
InChIKeyIGUXUNJBJKPOOJ-QFIPXVFZSA-N
MW438.53 g/mol
LogP5.47
Rot. Bonds6

About N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide

N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide (PubChem CID 155076778) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide
PubChem CID155076778
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(C#N)ccc2[nH]1)[C@@H]1C=C(NCc2cc3ccccc3o2)CCC1
InChIInChI=1S/C27H26N4O2/c1-2-31(27(32)25-14-20-12-18(16-28)10-11-24(20)30-25)22-8-5-7-21(15-22)29-17-23-13-19-6-3-4-9-26(19)33-23/h3-4,6,9-15,22,29-30H,2,5,7-8,17H2,1H3/t22-/m0/s1
InChIKeyIGUXUNJBJKPOOJ-QFIPXVFZSA-N
XLogP5.47
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-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-[3-(1-benzofuran-2-ylmethylamino)cyclohexyl]-5-cyano-N-ethyl-1H-indole-2-carboxamide
CID 135171332
N-[(1S)-3-(1,3-benzoxazol-5-ylmethylamino)cyclohex-2-en-1-yl]-N-ethyl-1H-indole-2-carboxamide
CID 155077123
N-[(1S)-3-[[4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]phenyl]methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-indole-2-carboxamide
CID 155076962
N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 155076770
N-[(1S)-3-[(3-cyano-1-benzofuran-2-yl)methylamino]cyclohexyl]-N-ethyl-5-fluoro-1H-indole-2-carboxamide
CID 170108043
N-ethyl-N-[(1S)-3-[(4-fluorophenyl)methylamino]cyclohex-2-en-1-yl]-1H-benzimidazole-2-carboxamide
CID 155076743
N-[(1S)-3-(1-benzofuran-2-ylmethylamino)-3-sulfanylcyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 170109158
N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 155076809
N-[(1S,3R)-3-(1-benzofuran-2-ylmethylamino)cyclohexyl]-N-ethyl-6-isocyano-1H-benzimidazole-2-carboxamide
CID 155602429
N-ethyl-N-[(1S)-3-(pyrimidin-2-ylmethylamino)cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
CID 155076942
N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055636
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170990

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide (CID 155076778) is N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2cc(C#N)ccc2[nH]1)[C@@H]1C=C(NCc2cc3ccccc3o2)CCC1.
What is the InChIKey of N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is IGUXUNJBJKPOOJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-2-31(27(32)25-14-20-12-18(16-28)10-11-24(20)30-25)22-8-5-7-21(15-22)29-17-23-13-19-6-3-4-9-26(19)33-23/h3-4,6,9-15,22,29-30H,2,5,7-8,17H2,1H3/t22-/m0/s1.
What are the key properties of N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide?
N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(1-benzofuran-2-ylmethylamino)cyclohex-2-en-1-yl]-5-cyano-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155076778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).