2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide

C27H24N2O5S — CID 24677975

IUPAC2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide
SMILESO=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C27H24N2O5S/c30-26-6-3-15-29(26)18-19-7-9-20(10-8-19)24-5-2-1-4-22(24)17-28-35(32,33)23-12-13-25-21(16-23)11-14-27(31)34-25/h1-2,4-5,7-14,16,28H,3,6,15,17-18H2
InChIKeyNMLWLWLHWQMBTQ-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.06
Rot. Bonds7

About 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide

2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide (PubChem CID 24677975) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide
PubChem CID24677975
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC Name2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide
SMILESO=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C27H24N2O5S/c30-26-6-3-15-29(26)18-19-7-9-20(10-8-19)24-5-2-1-4-22(24)17-28-35(32,33)23-12-13-25-21(16-23)11-14-27(31)34-25/h1-2,4-5,7-14,16,28H,3,6,15,17-18H2
InChIKeyNMLWLWLHWQMBTQ-UHFFFAOYSA-N
XLogP4.06
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656984
2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656982
N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide
CID 167821614
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 34108495
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
1-[[4-[2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]phenyl]methyl]pyrrolidin-2-one
CID 51113304
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974
2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
CID 47020894
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 99580883
2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide
CID 24677947
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide (CID 24677975) is 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide is O=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide?
The InChIKey is NMLWLWLHWQMBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5S/c30-26-6-3-15-29(26)18-19-7-9-20(10-8-19)24-5-2-1-4-22(24)17-28-35(32,33)23-12-13-25-21(16-23)11-14-27(31)34-25/h1-2,4-5,7-14,16,28H,3,6,15,17-18H2.
What are the key properties of 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide?
2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide has a molecular weight of 488.57 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide is sourced from PubChem (CID 24677975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).