N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide

C37H37N3O5S — CID 11734879

IUPACN-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(CNCCOc2ccc3c(c2)[nH]c2ccccc23)OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C37H37N3O5S/c1-46(41,42)40-35-22-29(16-19-36(35)44-25-27-10-4-2-5-11-27)37(45-26-28-12-6-3-7-13-28)24-38-20-21-43-30-17-18-32-31-14-8-9-15-33(31)39-34(32)23-30/h2-19,22-23,37-40H,20-21,24-26H2,1H3
InChIKeyBEYBLJIHHDYWIR-UHFFFAOYSA-N
MW635.79 g/mol
LogP7.20
Rot. Bonds15

About N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide

N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide (PubChem CID 11734879) has the molecular formula C37H37N3O5S and a molecular weight of 635.79 g/mol. Its IUPAC name is N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
PubChem CID11734879
Molecular FormulaC37H37N3O5S
Molecular Weight635.79 g/mol
Exact Mass635.25
IUPAC NameN-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(CNCCOc2ccc3c(c2)[nH]c2ccccc23)OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C37H37N3O5S/c1-46(41,42)40-35-22-29(16-19-36(35)44-25-27-10-4-2-5-11-27)37(45-26-28-12-6-3-7-13-28)24-38-20-21-43-30-17-18-32-31-14-8-9-15-33(31)39-34(32)23-30/h2-19,22-23,37-40H,20-21,24-26H2,1H3
InChIKeyBEYBLJIHHDYWIR-UHFFFAOYSA-N
XLogP7.20
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.79
LogP ≤ 57.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]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-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide
CID 18615264
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
CID 18615207
2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol
CID 70187925
7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole
CID 22111223
3-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-hydroxyethyl]amino]ethoxy]dibenzothiophene
CID 18615081
N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
N-[2-chloro-5-[(1S)-1-hydroxy-2-[2-[(7-hydroxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10206627
2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
CID 18615068
N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70036087
N-[2-chloro-5-[(1R)-2-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]-1-triethylsilyloxyethyl]phenyl]methanesulfonamide
CID 69348614
N-[5-[2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]-1-hydroxyethyl]-2-chlorophenyl]methanesulfonamide;ethane
CID 142048383
2-ethoxy-4-[4-[2-[[(2R)-2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]ethoxy]phenyl]benzoic acid
CID 69202846

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide (CID 11734879) is N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(CNCCOc2ccc3c(c2)[nH]c2ccccc23)OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The InChIKey is BEYBLJIHHDYWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3O5S/c1-46(41,42)40-35-22-29(16-19-36(35)44-25-27-10-4-2-5-11-27)37(45-26-28-12-6-3-7-13-28)24-38-20-21-43-30-17-18-32-31-14-8-9-15-33(31)39-34(32)23-30/h2-19,22-23,37-40H,20-21,24-26H2,1H3.
What are the key properties of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide has a molecular weight of 635.79 g/mol, XLogP of 7.20, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide is sourced from PubChem (CID 11734879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).