2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide

C20H24N2O4S — CID 90535196

IUPAC2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H24N2O4S/c1-4-26-19-10-9-14(2)11-20(19)27(24,25)21-12-18(23)16-13-22(3)17-8-6-5-7-15(16)17/h5-11,13,18,21,23H,4,12H2,1-3H3
InChIKeyVOHACIVRCUGPCI-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.90
Rot. Bonds7

About 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide

2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 90535196) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
PubChem CID90535196
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H24N2O4S/c1-4-26-19-10-9-14(2)11-20(19)27(24,25)21-12-18(23)16-13-22(3)17-8-6-5-7-15(16)17/h5-11,13,18,21,23H,4,12H2,1-3H3
InChIKeyVOHACIVRCUGPCI-UHFFFAOYSA-N
XLogP2.90
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90535181
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 90535155
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 90535146
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97414088
2,4-dichloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90535215
3-chloro-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 97414090
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 90535158
3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535169
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97415042
3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535166
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 90535159

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide (CID 90535196) is 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NCC(O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is VOHACIVRCUGPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-26-19-10-9-14(2)11-20(19)27(24,25)21-12-18(23)16-13-22(3)17-8-6-5-7-15(16)17/h5-11,13,18,21,23H,4,12H2,1-3H3.
What are the key properties of 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide?
2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 90535196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).