N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide

C41H56N4O4S — CID 101137358

IUPACN-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide
SMILESCC(C)c1cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCOCC4)cc3c2CCNCCCCc2ccc(NS(C)(=O)=O)cc2)cc(C(C)C)c1
InChIInChI=1S/C41H56N4O4S/c1-28(2)31-24-32(29(3)4)26-33(25-31)39-36(17-19-42-18-9-8-10-30-11-14-35(15-12-30)44-50(7,47)48)37-27-34(13-16-38(37)43-39)41(5,6)40(46)45-20-22-49-23-21-45/h11-16,24-29,42-44H,8-10,17-23H2,1-7H3
InChIKeyZQEPMGDXXAICJJ-UHFFFAOYSA-N
MW700.99 g/mol
LogP7.74
Rot. Bonds15

About N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide

N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide (PubChem CID 101137358) has the molecular formula C41H56N4O4S and a molecular weight of 700.99 g/mol. Its IUPAC name is N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide
PubChem CID101137358
Molecular FormulaC41H56N4O4S
Molecular Weight700.99 g/mol
Exact Mass700.40
IUPAC NameN-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide
SMILESCC(C)c1cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCOCC4)cc3c2CCNCCCCc2ccc(NS(C)(=O)=O)cc2)cc(C(C)C)c1
InChIInChI=1S/C41H56N4O4S/c1-28(2)31-24-32(29(3)4)26-33(25-31)39-36(17-19-42-18-9-8-10-30-11-14-35(15-12-30)44-50(7,47)48)37-27-34(13-16-38(37)43-39)41(5,6)40(46)45-20-22-49-23-21-45/h11-16,24-29,42-44H,8-10,17-23H2,1-7H3
InChIKeyZQEPMGDXXAICJJ-UHFFFAOYSA-N
XLogP7.74
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.99
LogP ≤ 57.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide 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-[2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-1H-indol-5-yl]pyrrolidine-1-carboxamide
CID 59944552
2-[2-(3,5-dimethylphenyl)-3-[2-[[5-[4-(methanesulfonamido)phenyl]-1-oxo-1-phenylmethoxypentan-2-yl]amino]ethyl]-1H-indol-5-yl]-2-methylpropanoic acid
CID 67662749
4-[2-[2-[2-(3,5-dimethylphenyl)-5-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indol-3-yl]propylamino]ethyl]benzoic acid
CID 77220390
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]indole-1-carboxamide
CID 173281641
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
2-[2-(3,5-dimethylphenyl)-3-[(2R)-1-(4-pyridin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-N,N-diethyl-2-methylpropanamide
CID 10257059
2-[3-[2-[[(cyanoamino)-(4-methylpiperazin-1-yl)methyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-N,N-diethyl-2-methylpropanamide
CID 58932501
N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide
CID 67707285
1-(2-azabicyclo[2.2.2]octan-2-yl)-2-[2-(3,5-dimethylphenyl)-3-[2-[2-(6-methoxy-3-pyridinyl)ethylamino]ethyl]-1H-indol-5-yl]-2-methylpropan-1-one
CID 101132447
N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
CID 174389661
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 17481914

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide (CID 101137358) is N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide is CC(C)c1cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCOCC4)cc3c2CCNCCCCc2ccc(NS(C)(=O)=O)cc2)cc(C(C)C)c1.
What is the InChIKey of N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide?
The InChIKey is ZQEPMGDXXAICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56N4O4S/c1-28(2)31-24-32(29(3)4)26-33(25-31)39-36(17-19-42-18-9-8-10-30-11-14-35(15-12-30)44-50(7,47)48)37-27-34(13-16-38(37)43-39)41(5,6)40(46)45-20-22-49-23-21-45/h11-16,24-29,42-44H,8-10,17-23H2,1-7H3.
What are the key properties of N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide?
N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide has a molecular weight of 700.99 g/mol, XLogP of 7.74, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-[2-[3,5-di(propan-2-yl)phenyl]-5-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-indol-3-yl]ethylamino]butyl]phenyl]methanesulfonamide is sourced from PubChem (CID 101137358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).