N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide

C35H45N5O4S — CID 19711333

IUPACN-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNCC(O)c4ccc5[nH]ccc5c4)cc3)cc2)C1=O
InChIInChI=1S/C35H45N5O4S/c1-2-3-4-5-6-7-22-39-23-24-40(35(39)42)31-13-15-32(16-14-31)45(43,44)38-30-11-8-27(9-12-30)18-20-36-26-34(41)29-10-17-33-28(25-29)19-21-37-33/h8-17,19,21,25,34,36-38,41H,2-7,18,20,22-24,26H2,1H3
InChIKeyBMGUDMNDCOYFPD-UHFFFAOYSA-N
MW631.84 g/mol
LogP6.44
Rot. Bonds17

About N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide

N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 19711333) has the molecular formula C35H45N5O4S and a molecular weight of 631.84 g/mol. Its IUPAC name is N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID19711333
Molecular FormulaC35H45N5O4S
Molecular Weight631.84 g/mol
Exact Mass631.32
IUPAC NameN-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNCC(O)c4ccc5[nH]ccc5c4)cc3)cc2)C1=O
InChIInChI=1S/C35H45N5O4S/c1-2-3-4-5-6-7-22-39-23-24-40(35(39)42)31-13-15-32(16-14-31)45(43,44)38-30-11-8-27(9-12-30)18-20-36-26-34(41)29-10-17-33-28(25-29)19-21-37-33/h8-17,19,21,25,34,36-38,41H,2-7,18,20,22-24,26H2,1H3
InChIKeyBMGUDMNDCOYFPD-UHFFFAOYSA-N
XLogP6.44
TPSA117.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.84
LogP ≤ 56.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide 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-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-(3-hexyl-2-oxoimidazol-1-yl)benzenesulfonamide
CID 174376522
5-[[4-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfamoyl]-N-octyl-2,3-dihydroindole-1-carboxamide
CID 19420529
4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride
CID 19711294
1-[4-[[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1-hexylurea
CID 67691654
N-[4-[2-[[2-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-(5-pentyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 19711330
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
CID 169370345
1-(3-hexylphenyl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 100970828
4-(2-heptyl-1,3-oxazol-4-yl)-N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]benzenesulfonamide
CID 19420495
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide
CID 123227789
5-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]-N-methyl-N-octyl-2,3-dihydroindole-1-carboxamide
CID 100970817
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[methyl-(4-octyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 100970830

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 19711333) is N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide is CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNCC(O)c4ccc5[nH]ccc5c4)cc3)cc2)C1=O.
What is the InChIKey of N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is BMGUDMNDCOYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O4S/c1-2-3-4-5-6-7-22-39-23-24-40(35(39)42)31-13-15-32(16-14-31)45(43,44)38-30-11-8-27(9-12-30)18-20-36-26-34(41)29-10-17-33-28(25-29)19-21-37-33/h8-17,19,21,25,34,36-38,41H,2-7,18,20,22-24,26H2,1H3.
What are the key properties of N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 631.84 g/mol, XLogP of 6.44, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 19711333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).