N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide

C23H28N2O4S — CID 155322274

IUPACN-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC(O)c1[nH]c2ccccc2c1CCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O4S/c1-30(27,28)25-23(26)22-20(19-9-4-5-11-21(19)24-22)10-6-14-29-18-13-12-16-7-2-3-8-17(16)15-18/h4-5,9,11-13,15,23-26H,2-3,6-8,10,14H2,1H3
InChIKeyDKCNWEGUHHBYNQ-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.60
Rot. Bonds8

About N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide

N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide (PubChem CID 155322274) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide
PubChem CID155322274
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC(O)c1[nH]c2ccccc2c1CCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O4S/c1-30(27,28)25-23(26)22-20(19-9-4-5-11-21(19)24-22)10-6-14-29-18-13-12-16-7-2-3-8-17(16)15-18/h4-5,9,11-13,15,23-26H,2-3,6-8,10,14H2,1H3
InChIKeyDKCNWEGUHHBYNQ-UHFFFAOYSA-N
XLogP3.60
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide
CID 155322271
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55713643
N-methylsulfonyl-3-[3-(3-phenoxyphenoxy)propyl]-1H-indole-2-carboxamide
CID 90083863
N-[[3-[3-(4-butylnaphthalen-1-yl)oxypropyl]-4-chloro-1H-indol-2-yl]-hydroxymethyl]methanesulfonamide
CID 123345775
5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole
CID 82089026
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810805
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide (CID 155322274) is N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC(O)c1[nH]c2ccccc2c1CCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide?
The InChIKey is DKCNWEGUHHBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-30(27,28)25-23(26)22-20(19-9-4-5-11-21(19)24-22)10-6-14-29-18-13-12-16-7-2-3-8-17(16)15-18/h4-5,9,11-13,15,23-26H,2-3,6-8,10,14H2,1H3.
What are the key properties of N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide?
N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy-[3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1H-indol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 155322274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).