2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine

C25H34N2O3S — CID 10049017

IUPAC2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
SMILESCC(C)c1c(S(=O)(=O)c2ccc(OCCCNC(C)(C)C)cc2)c2ccccc2n1C
InChIInChI=1S/C25H34N2O3S/c1-18(2)23-24(21-10-7-8-11-22(21)27(23)6)31(28,29)20-14-12-19(13-15-20)30-17-9-16-26-25(3,4)5/h7-8,10-15,18,26H,9,16-17H2,1-6H3
InChIKeyBJZZZMYLHLRQKC-UHFFFAOYSA-N
MW442.63 g/mol
LogP5.29
Rot. Bonds8

About 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine

2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine (PubChem CID 10049017) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
PubChem CID10049017
Molecular FormulaC25H34N2O3S
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC Name2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
SMILESCC(C)c1c(S(=O)(=O)c2ccc(OCCCNC(C)(C)C)cc2)c2ccccc2n1C
InChIInChI=1S/C25H34N2O3S/c1-18(2)23-24(21-10-7-8-11-22(21)27(23)6)31(28,29)20-14-12-19(13-15-20)30-17-9-16-26-25(3,4)5/h7-8,10-15,18,26H,9,16-17H2,1-6H3
InChIKeyBJZZZMYLHLRQKC-UHFFFAOYSA-N
XLogP5.29
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline
CID 24896271
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N-butyl-N-[3-[4-(1,6-dimethyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]butan-1-amine;oxalic acid
CID 14751770
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CID 142696829
3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-yl-1H-indole
CID 10478154
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CID 19417811
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
1-[4-(4-bromobutoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;cyclohexane
CID 160924668
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
2-methyl-N-[3-[4-(8-methyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]propan-1-amine
CID 57317450
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine (CID 10049017) is 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine is CC(C)c1c(S(=O)(=O)c2ccc(OCCCNC(C)(C)C)cc2)c2ccccc2n1C.
What is the InChIKey of 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
The InChIKey is BJZZZMYLHLRQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-18(2)23-24(21-10-7-8-11-22(21)27(23)6)31(28,29)20-14-12-19(13-15-20)30-17-9-16-26-25(3,4)5/h7-8,10-15,18,26H,9,16-17H2,1-6H3.
What are the key properties of 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine?
2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine has a molecular weight of 442.63 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine is sourced from PubChem (CID 10049017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).