2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C24H29N3O4S — CID 22518713

IUPAC2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)CC(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C24H29N3O4S/c1-24(2)19-14-17(12-13-21(19)27(4)23(24)29)32(30,31)26(3)15-22(28)25-20-11-7-9-16-8-5-6-10-18(16)20/h5-6,8,10,12-14,20H,7,9,11,15H2,1-4H3,(H,25,28)
InChIKeyHFKLTYVUWPHLPY-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.75
Rot. Bonds5

About 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 22518713) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID22518713
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)CC(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C24H29N3O4S/c1-24(2)19-14-17(12-13-21(19)27(4)23(24)29)32(30,31)26(3)15-22(28)25-20-11-7-9-16-8-5-6-10-18(16)20/h5-6,8,10,12-14,20H,7,9,11,15H2,1-4H3,(H,25,28)
InChIKeyHFKLTYVUWPHLPY-UHFFFAOYSA-N
XLogP2.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122706686
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28546713
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92714844
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92681437
N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518738
N-(3,5-dimethoxyphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518675
N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518709
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92679322
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92645573
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 22518713) is 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)CC(=O)NC3CCCc4ccccc43)ccc21.
What is the InChIKey of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is HFKLTYVUWPHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-24(2)19-14-17(12-13-21(19)27(4)23(24)29)32(30,31)26(3)15-22(28)25-20-11-7-9-16-8-5-6-10-18(16)20/h5-6,8,10,12-14,20H,7,9,11,15H2,1-4H3,(H,25,28).
What are the key properties of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 22518713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).