5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide

C25H32N2O2S — CID 166342410

IUPAC5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(N=S4(=O)CCCC4)cc3)ccc21
InChIInChI=1S/C25H32N2O2S/c1-24(2)13-14-25(3,4)22-17-18(7-12-21(22)24)23(28)26-19-8-10-20(11-9-19)27-30(29)15-5-6-16-30/h7-12,17H,5-6,13-16H2,1-4H3,(H,26,28)
InChIKeyONDJGAFPIULPCR-UHFFFAOYSA-N
MW424.61 g/mol
LogP6.18
Rot. Bonds3

About 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide

5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide (PubChem CID 166342410) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide
PubChem CID166342410
Molecular FormulaC25H32N2O2S
Molecular Weight424.61 g/mol
Exact Mass424.22
IUPAC Name5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(N=S4(=O)CCCC4)cc3)ccc21
InChIInChI=1S/C25H32N2O2S/c1-24(2)13-14-25(3,4)22-17-18(7-12-21(22)24)23(28)26-19-8-10-20(11-9-19)27-30(29)15-5-6-16-30/h7-12,17H,5-6,13-16H2,1-4H3,(H,26,28)
InChIKeyONDJGAFPIULPCR-UHFFFAOYSA-N
XLogP6.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide with MolForge

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Related Compounds

ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
N-(1H-indol-5-yl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 11559292
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
CID 19760315
3-oxo-3-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]propanoic acid
CID 24946634
N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 18989925
N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 166326596
methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 155439708
4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
CID 14235014
azidomethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
CID 90432441
N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,1,3,3-tetramethyl-2H-indene-5-carboxamide
CID 19760314
2-[4-(propan-2-ylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224525
ethane;methyl 2-[[2-[[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoyl]amino]acetyl]amino]acetate
CID 143799383

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide?
The IUPAC name of 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide (CID 166342410) is 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide?
The canonical SMILES for 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide is CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(N=S4(=O)CCCC4)cc3)ccc21.
What is the InChIKey of 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide?
The InChIKey is ONDJGAFPIULPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2S/c1-24(2)13-14-25(3,4)22-17-18(7-12-21(22)24)23(28)26-19-8-10-20(11-9-19)27-30(29)15-5-6-16-30/h7-12,17H,5-6,13-16H2,1-4H3,(H,26,28).
What are the key properties of 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide?
5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide has a molecular weight of 424.61 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 166342410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).