2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C27H33N3O4S — CID 92714844

IUPAC2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC1(C)C(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C27H33N3O4S/c1-27(2)22-17-20(35(33,34)29-15-6-3-7-16-29)13-14-24(22)30(26(27)32)18-25(31)28-23-12-8-10-19-9-4-5-11-21(19)23/h4-5,9,11,13-14,17,23H,3,6-8,10,12,15-16,18H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyNVJBLFSGXDNIFU-HSZRJFAPSA-N
MW495.65 g/mol
LogP3.68
Rot. Bonds5

About 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 92714844) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID92714844
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC1(C)C(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C27H33N3O4S/c1-27(2)22-17-20(35(33,34)29-15-6-3-7-16-29)13-14-24(22)30(26(27)32)18-25(31)28-23-12-8-10-19-9-4-5-11-21(19)23/h4-5,9,11,13-14,17,23H,3,6-8,10,12,15-16,18H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyNVJBLFSGXDNIFU-HSZRJFAPSA-N
XLogP3.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20958735
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918968
2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20879530
2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918800
2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92697326
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 22583332
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-phenylpropyl)acetamide
CID 50767600
N-cyclooctyl-2-[3,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070581
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22518713
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 92714844) is 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC1(C)C(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(S(=O)(=O)N3CCCCC3)cc21.
What is the InChIKey of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is NVJBLFSGXDNIFU-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-27(2)22-17-20(35(33,34)29-15-6-3-7-16-29)13-14-24(22)30(26(27)32)18-25(31)28-23-12-8-10-19-9-4-5-11-21(19)23/h4-5,9,11,13-14,17,23H,3,6-8,10,12,15-16,18H2,1-2H3,(H,28,31)/t23-/m1/s1.
What are the key properties of 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 495.65 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 92714844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).