N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene

C35H45N3O2S — CID 142026717

IUPACN-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene
SMILESC/C=C/CC.O=S(=O)(NCC1CCC(C/N=C2\CC3c4ccccc4CCC3N2)CC1)c1cccc2ccccc12
InChIInChI=1S/C30H35N3O2S.C5H10/c34-36(35,29-11-5-8-23-6-2-4-10-26(23)29)32-20-22-14-12-21(13-15-22)19-31-30-18-27-25-9-3-1-7-24(25)16-17-28(27)33-30;1-3-5-4-2/h1-11,21-22,27-28,32H,12-20H2,(H,31,33);3,5H,4H2,1-2H3/b;5-3+
InChIKeyFFMNFZYJGHFCLK-GWDXERMASA-N
MW571.83 g/mol
LogP7.39
Rot. Bonds7

About N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene

N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene (PubChem CID 142026717) has the molecular formula C35H45N3O2S and a molecular weight of 571.83 g/mol. Its IUPAC name is N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene.

Molecular Properties

Compound NameN-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene
PubChem CID142026717
Molecular FormulaC35H45N3O2S
Molecular Weight571.83 g/mol
Exact Mass571.32
IUPAC NameN-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene
SMILESC/C=C/CC.O=S(=O)(NCC1CCC(C/N=C2\CC3c4ccccc4CCC3N2)CC1)c1cccc2ccccc12
InChIInChI=1S/C30H35N3O2S.C5H10/c34-36(35,29-11-5-8-23-6-2-4-10-26(23)29)32-20-22-14-12-21(13-15-22)19-31-30-18-27-25-9-3-1-7-24(25)16-17-28(27)33-30;1-3-5-4-2/h1-11,21-22,27-28,32H,12-20H2,(H,31,33);3,5H,4H2,1-2H3/b;5-3+
InChIKeyFFMNFZYJGHFCLK-GWDXERMASA-N
XLogP7.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.83
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene?
The IUPAC name of N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene (CID 142026717) is N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene.
What is the SMILES notation for N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene?
The canonical SMILES for N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene is C/C=C/CC.O=S(=O)(NCC1CCC(C/N=C2\CC3c4ccccc4CCC3N2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene?
The InChIKey is FFMNFZYJGHFCLK-GWDXERMASA-N. The full InChI is InChI=1S/C30H35N3O2S.C5H10/c34-36(35,29-11-5-8-23-6-2-4-10-26(23)29)32-20-22-14-12-21(13-15-22)19-31-30-18-27-25-9-3-1-7-24(25)16-17-28(27)33-30;1-3-5-4-2/h1-11,21-22,27-28,32H,12-20H2,(H,31,33);3,5H,4H2,1-2H3/b;5-3+.
What are the key properties of N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene?
N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene has a molecular weight of 571.83 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylideneamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;(E)-pent-2-ene is sourced from PubChem (CID 142026717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).