2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide

C25H33N3O3S — CID 16935358

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide
SMILESCCN(CC)CCCC(C)NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H33N3O3S/c1-4-27(5-2)17-11-12-20(3)26-25(29)19-28-18-24(22-15-9-10-16-23(22)28)32(30,31)21-13-7-6-8-14-21/h6-10,13-16,18,20H,4-5,11-12,17,19H2,1-3H3,(H,26,29)
InChIKeyIYKYSKAMJDGZKD-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.10
Rot. Bonds11

About 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide

2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide (PubChem CID 16935358) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide
PubChem CID16935358
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide
SMILESCCN(CC)CCCC(C)NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H33N3O3S/c1-4-27(5-2)17-11-12-20(3)26-25(29)19-28-18-24(22-15-9-10-16-23(22)28)32(30,31)21-13-7-6-8-14-21/h6-10,13-16,18,20H,4-5,11-12,17,19H2,1-3H3,(H,26,29)
InChIKeyIYKYSKAMJDGZKD-UHFFFAOYSA-N
XLogP4.10
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 30554059
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935388
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
(3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide
CID 93298990
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
N-butan-2-yl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958381
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide (CID 16935358) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide is CCN(CC)CCCC(C)NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide?
The InChIKey is IYKYSKAMJDGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-4-27(5-2)17-11-12-20(3)26-25(29)19-28-18-24(22-15-9-10-16-23(22)28)32(30,31)21-13-7-6-8-14-21/h6-10,13-16,18,20H,4-5,11-12,17,19H2,1-3H3,(H,26,29).
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide has a molecular weight of 455.62 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide is sourced from PubChem (CID 16935358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).