N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide

C20H22N2O2S — CID 113084771

IUPACN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N2O2S/c23-25(24,13-10-16-6-2-1-3-7-16)22-15-20(11-12-20)18-14-21-19-9-5-4-8-17(18)19/h1-9,14,21-22H,10-13,15H2
InChIKeyPTMUDCXBLSWTND-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.36
Rot. Bonds7

About N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide (PubChem CID 113084771) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
PubChem CID113084771
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N2O2S/c23-25(24,13-10-16-6-2-1-3-7-16)22-15-20(11-12-20)18-14-21-19-9-5-4-8-17(18)19/h1-9,14,21-22H,10-13,15H2
InChIKeyPTMUDCXBLSWTND-UHFFFAOYSA-N
XLogP3.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide 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-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113085496
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113084752
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide
CID 110357490
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
CID 146078875
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
CID 113084663
2-phenyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]ethanesulfonamide
CID 30943250

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide (CID 113084771) is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
The InChIKey is PTMUDCXBLSWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-25(24,13-10-16-6-2-1-3-7-16)22-15-20(11-12-20)18-14-21-19-9-5-4-8-17(18)19/h1-9,14,21-22H,10-13,15H2.
What are the key properties of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113084771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).