(1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one

C19H18N2O4S — CID 166448665

IUPAC(1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]3CON4c5ccccc5C(=O)[C@@]342)cc1
InChIInChI=1S/C19H18N2O4S/c1-13-6-8-15(9-7-13)26(23,24)20-11-10-14-12-25-21-17-5-3-2-4-16(17)18(22)19(14,20)21/h2-9,14H,10-12H2,1H3/t14-,19-/m1/s1
InChIKeyOGYKRWBCNFYIGA-AUUYWEPGSA-N
MW370.43 g/mol
LogP2.35
Rot. Bonds2

About (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one

(1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one (PubChem CID 166448665) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one.

Molecular Properties

Compound Name(1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one
PubChem CID166448665
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]3CON4c5ccccc5C(=O)[C@@]342)cc1
InChIInChI=1S/C19H18N2O4S/c1-13-6-8-15(9-7-13)26(23,24)20-11-10-14-12-25-21-17-5-3-2-4-16(17)18(22)19(14,20)21/h2-9,14H,10-12H2,1H3/t14-,19-/m1/s1
InChIKeyOGYKRWBCNFYIGA-AUUYWEPGSA-N
XLogP2.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S,7R)-2-(4-methylphenyl)sulfonyl-9-oxa-2-azatricyclo[5.3.0.01,5]decan-8-one
CID 11673943
1-(4-methylphenyl)sulfonyl-4-phenyl-1-azaspiro[4.6]undecane
CID 11234463
1-(4-methylphenyl)sulfonyl-5,6a-diphenyl-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
CID 76517385
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-6,1-benzoxazonin-7-one
CID 102529621
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
CID 139845178
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
4-cyclopentyl-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-1,4-benzodiazepin-5-one
CID 11326935
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 2906211

Frequently Asked Questions

What is the IUPAC name of (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one?
The IUPAC name of (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one (CID 166448665) is (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one.
What is the SMILES notation for (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one?
The canonical SMILES for (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one is Cc1ccc(S(=O)(=O)N2CC[C@@H]3CON4c5ccccc5C(=O)[C@@]342)cc1.
What is the InChIKey of (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one?
The InChIKey is OGYKRWBCNFYIGA-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13-6-8-15(9-7-13)26(23,24)20-11-10-14-12-25-21-17-5-3-2-4-16(17)18(22)19(14,20)21/h2-9,14H,10-12H2,1H3/t14-,19-/m1/s1.
What are the key properties of (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one?
(1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one has a molecular weight of 370.43 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S)-15-(4-methylphenyl)sulfonyl-10-oxa-9,15-diazatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-trien-2-one is sourced from PubChem (CID 166448665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).