N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide

C25H36N2O2S — CID 67602239

IUPACN-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide
SMILESCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CNC(=O)c5cccs5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C25H36N2O2S/c1-24-12-10-19-17(7-9-21-25(19,2)13-11-22(28)27(21)3)18(24)8-6-16(24)15-26-23(29)20-5-4-14-30-20/h4-5,14,16-19,21H,6-13,15H2,1-3H3,(H,26,29)/t16-,17+,18+,19+,21-,24-,25-/m1/s1
InChIKeyFNHARZMVRUXSLP-ZQLSECDDSA-N
MW428.64 g/mol
LogP4.96
Rot. Bonds3

About N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide

N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide (PubChem CID 67602239) has the molecular formula C25H36N2O2S and a molecular weight of 428.64 g/mol. Its IUPAC name is N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide
PubChem CID67602239
Molecular FormulaC25H36N2O2S
Molecular Weight428.64 g/mol
Exact Mass428.25
IUPAC NameN-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide
SMILESCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CNC(=O)c5cccs5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C25H36N2O2S/c1-24-12-10-19-17(7-9-21-25(19,2)13-11-22(28)27(21)3)18(24)8-6-16(24)15-26-23(29)20-5-4-14-30-20/h4-5,14,16-19,21H,6-13,15H2,1-3H3,(H,26,29)/t16-,17+,18+,19+,21-,24-,25-/m1/s1
InChIKeyFNHARZMVRUXSLP-ZQLSECDDSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(2-oxo-2-thiophen-2-ylethyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67676435
N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]thiophene-2-carboxamide
CID 67721745
(3aS,3bS,9aR,9bR,11aR)-6,9a,11a-trimethyl-1-(thiophen-2-ylmethyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 91094405
1-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-phenylurea
CID 22871992
N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-cyanobenzamide
CID 57102547
7-[(3aS,3bS,9aR,9bR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-thiophen-2-ylheptanamide
CID 67675427
1-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-naphthalen-2-ylurea
CID 22871991
1-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-octylurea
CID 57224436
N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(4-nitrophenyl)propanamide
CID 57154063
(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(3-oxo-3-phenylpropyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67675438
3-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
CID 57199183
3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
CID 67674802

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide (CID 67602239) is N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide is CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CNC(=O)c5cccs5)CC[C@H]4[C@@H]3CC[C@@H]12.
What is the InChIKey of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide?
The InChIKey is FNHARZMVRUXSLP-ZQLSECDDSA-N. The full InChI is InChI=1S/C25H36N2O2S/c1-24-12-10-19-17(7-9-21-25(19,2)13-11-22(28)27(21)3)18(24)8-6-16(24)15-26-23(29)20-5-4-14-30-20/h4-5,14,16-19,21H,6-13,15H2,1-3H3,(H,26,29)/t16-,17+,18+,19+,21-,24-,25-/m1/s1.
What are the key properties of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide?
N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide has a molecular weight of 428.64 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 67602239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).