(10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

C20H16N2O3S — CID 51450108

IUPAC(10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCC1=C[C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)c3cccs3)N2c2ccccc21
InChIInChI=1S/C20H16N2O3S/c1-10-9-13-15-16(20(25)21-19(15)24)17(18(23)14-7-4-8-26-14)22(13)12-6-3-2-5-11(10)12/h2-9,13,15-17H,1H3,(H,21,24,25)/t13-,15+,16+,17-/m1/s1
InChIKeyWTEMHUNGHRHHAV-BSWAZPDLSA-N
MW364.43 g/mol
LogP2.49
Rot. Bonds2

About (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

(10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (PubChem CID 51450108) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.

Molecular Properties

Compound Name(10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
PubChem CID51450108
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name(10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCC1=C[C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)c3cccs3)N2c2ccccc21
InChIInChI=1S/C20H16N2O3S/c1-10-9-13-15-16(20(25)21-19(15)24)17(18(23)14-7-4-8-26-14)22(13)12-6-3-2-5-11(10)12/h2-9,13,15-17H,1H3,(H,21,24,25)/t13-,15+,16+,17-/m1/s1
InChIKeyWTEMHUNGHRHHAV-BSWAZPDLSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione with MolForge

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Related Compounds

(10S,11R,15S,16R)-13-(2-methoxyethyl)-5,8-dimethyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124771634
(10R,11R,15S,16R)-13-butyl-5,8-dimethyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 98446863
(10R,11S,15R,16R)-13-[(2S)-butan-2-yl]-5,8-dimethyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 98446593
(10S,11R,15S,16R)-13-[(2S)-butan-2-yl]-5,8-dimethyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124771485
(1'S,2'S,3R,3'aS)-5'-methyl-2'-(4-methylbenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100886184
(1'S,2'R,3R,3'aS)-5'-methyl-2'-(4-methylbenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100886185
(1'R,2'S,3R,3'aS)-5'-methyl-2'-(4-propylbenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100874511
5'-methyl-2'-(4-propylbenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 4921190
(1'R,2'S,3R,3'aS)-2'-(2,4-dichlorobenzoyl)-5'-methyl-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 6589958
(1'R,2'S,3R,3'aR)-5'-methyl-2'-[4-(2-methylpropyl)benzoyl]-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98288726
(1'R,2'S,3S,3'aR)-5'-methyl-2'-(4-pentylbenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98381641
(1'R,2'S,3R,3'aR)-5'-methyl-2'-(4-pentylbenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100832212

Frequently Asked Questions

What is the IUPAC name of (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The IUPAC name of (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (CID 51450108) is (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.
What is the SMILES notation for (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The canonical SMILES for (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is CC1=C[C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)c3cccs3)N2c2ccccc21.
What is the InChIKey of (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The InChIKey is WTEMHUNGHRHHAV-BSWAZPDLSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-10-9-13-15-16(20(25)21-19(15)24)17(18(23)14-7-4-8-26-14)22(13)12-6-3-2-5-11(10)12/h2-9,13,15-17H,1H3,(H,21,24,25)/t13-,15+,16+,17-/m1/s1.
What are the key properties of (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
(10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione has a molecular weight of 364.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11R,15S,16R)-8-methyl-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is sourced from PubChem (CID 51450108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).