N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide

C26H21NO4S — CID 155982015

IUPACN-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide
SMILESCOc1ccc2c(c1)[C@]1(C=CC(=O)c3ccccc31)C(N(c1ccccc1)S(C)(=O)=O)=C2
InChIInChI=1S/C26H21NO4S/c1-31-20-13-12-18-16-25(27(32(2,29)30)19-8-4-3-5-9-19)26(23(18)17-20)15-14-24(28)21-10-6-7-11-22(21)26/h3-17H,1-2H3/t26-/m1/s1
InChIKeyKQSMGPVWJLZOGO-AREMUKBSSA-N
MW443.52 g/mol
LogP4.55
Rot. Bonds4

About N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide

N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide (PubChem CID 155982015) has the molecular formula C26H21NO4S and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide
PubChem CID155982015
Molecular FormulaC26H21NO4S
Molecular Weight443.52 g/mol
Exact Mass443.12
IUPAC NameN-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide
SMILESCOc1ccc2c(c1)[C@]1(C=CC(=O)c3ccccc31)C(N(c1ccccc1)S(C)(=O)=O)=C2
InChIInChI=1S/C26H21NO4S/c1-31-20-13-12-18-16-25(27(32(2,29)30)19-8-4-3-5-9-19)26(23(18)17-20)15-14-24(28)21-10-6-7-11-22(21)26/h3-17H,1-2H3/t26-/m1/s1
InChIKeyKQSMGPVWJLZOGO-AREMUKBSSA-N
XLogP4.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551612
13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
CID 14874013
1-inden-1-ylidene-6-methoxyindene
CID 85420344
5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one
CID 138963859
(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one
CID 155930667
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide
CID 142711780
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)benzenesulfinic acid
CID 163478631
3-(4-methoxyphenyl)-3-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]-2H-inden-1-one
CID 161104122
4-hydroperoxy-4-methylnaphthalen-1-one
CID 13383451
2-methoxy-9H-thioxanthene 10-oxide
CID 640900
2-[(6-methoxy-2H-chromen-3-yl)methylidene]indene-1,3-dione
CID 3359173

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide (CID 155982015) is N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide is COc1ccc2c(c1)[C@]1(C=CC(=O)c3ccccc31)C(N(c1ccccc1)S(C)(=O)=O)=C2.
What is the InChIKey of N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide?
The InChIKey is KQSMGPVWJLZOGO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H21NO4S/c1-31-20-13-12-18-16-25(27(32(2,29)30)19-8-4-3-5-9-19)26(23(18)17-20)15-14-24(28)21-10-6-7-11-22(21)26/h3-17H,1-2H3/t26-/m1/s1.
What are the key properties of N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide?
N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide has a molecular weight of 443.52 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-methoxy-4'-oxospiro[indene-1,1'-naphthalene]-2-yl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 155982015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).