N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide

C17H23N3O4S — CID 7489774

IUPACN,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC)c2ccccc21
InChIInChI=1S/C17H23N3O4S/c1-4-19(5-2)17(22)11-20-10-15(13-8-6-7-9-14(13)20)25(23,24)12-16(21)18-3/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
InChIKeyGCKNNQVRWXFBDF-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.03
Rot. Bonds7

About N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide

N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide (PubChem CID 7489774) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
PubChem CID7489774
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC)c2ccccc21
InChIInChI=1S/C17H23N3O4S/c1-4-19(5-2)17(22)11-20-10-15(13-8-6-7-9-14(13)20)25(23,24)12-16(21)18-3/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
InChIKeyGCKNNQVRWXFBDF-UHFFFAOYSA-N
XLogP1.03
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369
2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563392
2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563455
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
N,N-diethyl-2-[3-[(4-nitrophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 16834477
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide
CID 30292178

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide (CID 7489774) is N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide?
The InChIKey is GCKNNQVRWXFBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-4-19(5-2)17(22)11-20-10-15(13-8-6-7-9-14(13)20)25(23,24)12-16(21)18-3/h6-10H,4-5,11-12H2,1-3H3,(H,18,21).
What are the key properties of N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide?
N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 7489774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).